1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol

C16H26BrNO2 — CID 62617478

IUPAC1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
SMILESCCC(C)N(CCOC)CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrNO2/c1-4-13(2)18(11-12-20-3)10-9-16(19)14-5-7-15(17)8-6-14/h5-8,13,16,19H,4,9-12H2,1-3H3
InChIKeyBRPJHNKIYLVNAR-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.62
Rot. Bonds9

About 1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol

1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol (PubChem CID 62617478) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
PubChem CID62617478
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
SMILESCCC(C)N(CCOC)CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrNO2/c1-4-13(2)18(11-12-20-3)10-9-16(19)14-5-7-15(17)8-6-14/h5-8,13,16,19H,4,9-12H2,1-3H3
InChIKeyBRPJHNKIYLVNAR-UHFFFAOYSA-N
XLogP3.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
CID 110935898
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
CID 62630165
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 62617474
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol
CID 63489960
1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103190
3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
CID 63487544
3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
CID 62613917
1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol
CID 110936012
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62645246
1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one
CID 82778702
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62645417

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol (CID 62617478) is 1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol is CCC(C)N(CCOC)CCC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol?
The InChIKey is BRPJHNKIYLVNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-4-13(2)18(11-12-20-3)10-9-16(19)14-5-7-15(17)8-6-14/h5-8,13,16,19H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol?
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol has a molecular weight of 344.29 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol is sourced from PubChem (CID 62617478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).