4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol

C21H36N2O4 — CID 42381664

IUPAC4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol
SMILESCCN(CC)C[C@@H](O)COc1cc(CNC2CCC(O)CC2)ccc1OC
InChIInChI=1S/C21H36N2O4/c1-4-23(5-2)14-19(25)15-27-21-12-16(6-11-20(21)26-3)13-22-17-7-9-18(24)10-8-17/h6,11-12,17-19,22,24-25H,4-5,7-10,13-15H2,1-3H3/t17?,18?,19-/m1/s1
InChIKeyXIXZRNAJZANAFU-CTWPCTMYSA-N
MW380.53 g/mol
LogP2.17
Rot. Bonds11

About 4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol

4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol (PubChem CID 42381664) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol
PubChem CID42381664
Molecular FormulaC21H36N2O4
Molecular Weight380.53 g/mol
Exact Mass380.27
IUPAC Name4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol
SMILESCCN(CC)C[C@@H](O)COc1cc(CNC2CCC(O)CC2)ccc1OC
InChIInChI=1S/C21H36N2O4/c1-4-23(5-2)14-19(25)15-27-21-12-16(6-11-20(21)26-3)13-22-17-7-9-18(24)10-8-17/h6,11-12,17-19,22,24-25H,4-5,7-10,13-15H2,1-3H3/t17?,18?,19-/m1/s1
InChIKeyXIXZRNAJZANAFU-CTWPCTMYSA-N
XLogP2.17
TPSA74.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-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

1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol
CID 45208012
4-[[3-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol
CID 26327292
(2R)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282788
(2S)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282784
(2S)-1-(diethylamino)-3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 25482880
1-(diethylamino)-3-[2-methoxy-5-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45240353
(2S)-1-(diethylamino)-3-[2-methoxy-5-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 42376551
(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42191908
1-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45248809
(2S)-1-(diethylamino)-3-[2-methoxy-5-[[(5-methylthiophen-2-yl)methylamino]methyl]phenoxy]propan-2-ol
CID 42528238
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
1-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperidine-4-carbonitrile
CID 97276288

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol (CID 42381664) is 4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol is CCN(CC)C[C@@H](O)COc1cc(CNC2CCC(O)CC2)ccc1OC.
What is the InChIKey of 4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol?
The InChIKey is XIXZRNAJZANAFU-CTWPCTMYSA-N. The full InChI is InChI=1S/C21H36N2O4/c1-4-23(5-2)14-19(25)15-27-21-12-16(6-11-20(21)26-3)13-22-17-7-9-18(24)10-8-17/h6,11-12,17-19,22,24-25H,4-5,7-10,13-15H2,1-3H3/t17?,18?,19-/m1/s1.
What are the key properties of 4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol?
4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol has a molecular weight of 380.53 g/mol, XLogP of 2.17, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 42381664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).