[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol

C17H27NO2 — CID 81419393

IUPAC[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
SMILESCOc1ccccc1[C@H](C)NCC1(CO)CCCCC1
InChIInChI=1S/C17H27NO2/c1-14(15-8-4-5-9-16(15)20-2)18-12-17(13-19)10-6-3-7-11-17/h4-5,8-9,14,18-19H,3,6-7,10-13H2,1-2H3/t14-/m0/s1
InChIKeyNZDGSBMLMUFQEU-AWEZNQCLSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds6

About [1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol

[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol (PubChem CID 81419393) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
PubChem CID81419393
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
SMILESCOc1ccccc1[C@H](C)NCC1(CO)CCCCC1
InChIInChI=1S/C17H27NO2/c1-14(15-8-4-5-9-16(15)20-2)18-12-17(13-19)10-6-3-7-11-17/h4-5,8-9,14,18-19H,3,6-7,10-13H2,1-2H3/t14-/m0/s1
InChIKeyNZDGSBMLMUFQEU-AWEZNQCLSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358422
[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358414
[1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81419006
[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 79985726
[1-[[1-[2-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopropyl]methanol
CID 81344008
[1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103924886
2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol
CID 103965826
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
CID 115358531
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-phenylacetate
CID 81399531

Frequently Asked Questions

What is the IUPAC name of [1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol (CID 81419393) is [1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol is COc1ccccc1[C@H](C)NCC1(CO)CCCCC1.
What is the InChIKey of [1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol?
The InChIKey is NZDGSBMLMUFQEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(15-8-4-5-9-16(15)20-2)18-12-17(13-19)10-6-3-7-11-17/h4-5,8-9,14,18-19H,3,6-7,10-13H2,1-2H3/t14-/m0/s1.
What are the key properties of [1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol?
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).