1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol

C37H54Br4N2O4 — CID 19132772

IUPAC1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
SMILESCCN(CC(O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(O)CN(CC)C3CCCCC3)c(Br)c2)cc1Br)C1CCCCC1
InChIInChI=1S/C37H54Br4N2O4/c1-5-42(27-13-9-7-10-14-27)21-29(44)23-46-35-31(38)17-25(18-32(35)39)37(3,4)26-19-33(40)36(34(41)20-26)47-24-30(45)22-43(6-2)28-15-11-8-12-16-28/h17-20,27-30,44-45H,5-16,21-24H2,1-4H3
InChIKeyYQFWKSGIGABHDV-UHFFFAOYSA-N
MW910.46 g/mol
LogP9.85
Rot. Bonds16

About 1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol

1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol (PubChem CID 19132772) has the molecular formula C37H54Br4N2O4 and a molecular weight of 910.46 g/mol. Its IUPAC name is 1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
PubChem CID19132772
Molecular FormulaC37H54Br4N2O4
Molecular Weight910.46 g/mol
Exact Mass906.08
IUPAC Name1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
SMILESCCN(CC(O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(O)CN(CC)C3CCCCC3)c(Br)c2)cc1Br)C1CCCCC1
InChIInChI=1S/C37H54Br4N2O4/c1-5-42(27-13-9-7-10-14-27)21-29(44)23-46-35-31(38)17-25(18-32(35)39)37(3,4)26-19-33(40)36(34(41)20-26)47-24-30(45)22-43(6-2)28-15-11-8-12-16-28/h17-20,27-30,44-45H,5-16,21-24H2,1-4H3
InChIKeyYQFWKSGIGABHDV-UHFFFAOYSA-N
XLogP9.85
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.46
LogP ≤ 59.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(azepan-1-yl)-3-[4-[2-[4-[(2R)-3-(azepan-1-yl)-2-hydroxypropoxy]-3,5-dibromophenyl]propan-2-yl]-2,6-dibromophenoxy]propan-2-ol
CID 99652347
1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
CID 21237610
(2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol
CID 2392576
1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 19132771
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
CID 112811309
CID 161016170
CID 161016170
1-[2,6-dibromo-4-[2-[3,5-dibromo-4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 161393257
1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol
CID 43165783
1-[cyclopentyl(ethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110892630
(2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol
CID 41474577

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol (CID 19132772) is 1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol is CCN(CC(O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(O)CN(CC)C3CCCCC3)c(Br)c2)cc1Br)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
The InChIKey is YQFWKSGIGABHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H54Br4N2O4/c1-5-42(27-13-9-7-10-14-27)21-29(44)23-46-35-31(38)17-25(18-32(35)39)37(3,4)26-19-33(40)36(34(41)20-26)47-24-30(45)22-43(6-2)28-15-11-8-12-16-28/h17-20,27-30,44-45H,5-16,21-24H2,1-4H3.
What are the key properties of 1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol has a molecular weight of 910.46 g/mol, XLogP of 9.85, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 19132772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).