2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol

C14H20ClNO — CID 81352447

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
SMILESC[C@@H](NC1CCCCC1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-10(11-6-8-12(15)9-7-11)16-13-4-2-3-5-14(13)17/h6-10,13-14,16-17H,2-5H2,1H3/t10-,13?,14?/m1/s1
InChIKeyJNGNPHANPWUSPQ-GWMXKSKGSA-N
MW253.77 g/mol
LogP3.29
Rot. Bonds3

About 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol (PubChem CID 81352447) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
PubChem CID81352447
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
SMILESC[C@@H](NC1CCCCC1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-10(11-6-8-12(15)9-7-11)16-13-4-2-3-5-14(13)17/h6-10,13-14,16-17H,2-5H2,1H3/t10-,13?,14?/m1/s1
InChIKeyJNGNPHANPWUSPQ-GWMXKSKGSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol
CID 81352634
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 81371394
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 81353352
N-[1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277047
2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol
CID 115891348
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol
CID 62366668
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81379546

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol (CID 81352447) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol is C[C@@H](NC1CCCCC1O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol?
The InChIKey is JNGNPHANPWUSPQ-GWMXKSKGSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(11-6-8-12(15)9-7-11)16-13-4-2-3-5-14(13)17/h6-10,13-14,16-17H,2-5H2,1H3/t10-,13?,14?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 81352447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).