[4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol

C17H28N2O — CID 98567640

IUPAC[4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol
SMILESC[C@H](NC1CCC(CO)CC1)c1ccccc1N(C)C
InChIInChI=1S/C17H28N2O/c1-13(16-6-4-5-7-17(16)19(2)3)18-15-10-8-14(12-20)9-11-15/h4-7,13-15,18,20H,8-12H2,1-3H3/t13-,14?,15?/m0/s1
InChIKeyCFVJPYHZTINFEI-NFOMZHRRSA-N
MW276.42 g/mol
LogP2.95
Rot. Bonds5

About [4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol

[4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol (PubChem CID 98567640) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol
PubChem CID98567640
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol
SMILESC[C@H](NC1CCC(CO)CC1)c1ccccc1N(C)C
InChIInChI=1S/C17H28N2O/c1-13(16-6-4-5-7-17(16)19(2)3)18-15-10-8-14(12-20)9-11-15/h4-7,13-15,18,20H,8-12H2,1-3H3/t13-,14?,15?/m0/s1
InChIKeyCFVJPYHZTINFEI-NFOMZHRRSA-N
XLogP2.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-[2-(dimethylamino)phenyl]ethylamino]cyclohexyl]methanol
CID 84594317
N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline
CID 97160739
cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone
CID 97160771
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 29040454
[4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol
CID 103788562
N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 43079434
2-(cyclopropylmethyl)-N,N-dimethylaniline
CID 90792914
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 81397757
4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
CID 43612843
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737

Frequently Asked Questions

What is the IUPAC name of [4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol (CID 98567640) is [4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol is C[C@H](NC1CCC(CO)CC1)c1ccccc1N(C)C.
What is the InChIKey of [4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol?
The InChIKey is CFVJPYHZTINFEI-NFOMZHRRSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(16-6-4-5-7-17(16)19(2)3)18-15-10-8-14(12-20)9-11-15/h4-7,13-15,18,20H,8-12H2,1-3H3/t13-,14?,15?/m0/s1.
What are the key properties of [4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol?
[4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol has a molecular weight of 276.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 98567640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).