(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol

C17H27NO — CID 103959887

IUPAC(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-4-17(19)15-10-5-6-11-16(15)18(3)14-9-7-8-13(2)12-14/h5-6,10-11,13-14,17,19H,4,7-9,12H2,1-3H3/t13?,14?,17-/m0/s1
InChIKeyOEMOJZVLQBWVES-KVULBXGLSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds4

About (1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol

(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol (PubChem CID 103959887) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
PubChem CID103959887
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-4-17(19)15-10-5-6-11-16(15)18(3)14-9-7-8-13(2)12-14/h5-6,10-11,13-14,17,19H,4,7-9,12H2,1-3H3/t13?,14?,17-/m0/s1
InChIKeyOEMOJZVLQBWVES-KVULBXGLSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 103958672
(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103960276
(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103959896
[2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 61446202
2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081482
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol
CID 82969824
(1R)-1-[2-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 55182840
(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
CID 103959730
1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
CID 102864135
N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 63551560
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol (CID 103959887) is (1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N(C)C1CCCC(C)C1.
What is the InChIKey of (1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol?
The InChIKey is OEMOJZVLQBWVES-KVULBXGLSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-17(19)15-10-5-6-11-16(15)18(3)14-9-7-8-13(2)12-14/h5-6,10-11,13-14,17,19H,4,7-9,12H2,1-3H3/t13?,14?,17-/m0/s1.
What are the key properties of (1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol?
(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 103959887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).