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

C14H20ClNO — CID 70378314

IUPAC(1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol
SMILESNC[C@@H](c1ccc(Cl)cc1)C1CCCC[C@@H]1O
InChIInChI=1S/C14H20ClNO/c15-11-7-5-10(6-8-11)13(9-16)12-3-1-2-4-14(12)17/h5-8,12-14,17H,1-4,9,16H2/t12?,13-,14-/m0/s1
InChIKeyPZLQBEUFDWQERV-TTZKSVMKSA-N
MW253.77 g/mol
LogP2.93
Rot. Bonds3

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

(1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol (PubChem CID 70378314) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol
PubChem CID70378314
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol
SMILESNC[C@@H](c1ccc(Cl)cc1)C1CCCC[C@@H]1O
InChIInChI=1S/C14H20ClNO/c15-11-7-5-10(6-8-11)13(9-16)12-3-1-2-4-14(12)17/h5-8,12-14,17H,1-4,9,16H2/t12?,13-,14-/m0/s1
InChIKeyPZLQBEUFDWQERV-TTZKSVMKSA-N
XLogP2.93
TPSA46.25 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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-(4-chlorophenyl)ethan-1-ol
CID 412434
beta-Amino-4-chlorobenzenepropanol
CID 548289
[4-(4-Chloro-phenyl)-piperidin-3-yl]-methanol
CID 44337772
3-Amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
(1s)-2-Amino-1-(4-Chlorophenyl)ethan-1-Ol
CID 7015635
2-(4-Chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 68673525
4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol
CID 24730055
3-(Aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol
CID 58954826
trans-(1R,2S)-2-(aminomethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol
CID 58954899
2-(4-Chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 68675092
(1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118689703
3-Piperidinol, 2-(p-chloro-alpha-cyclohexylbenzyl)-, hydrochloride
CID 209483

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of (1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol (CID 70378314) is (1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for (1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for (1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol is NC[C@@H](c1ccc(Cl)cc1)C1CCCC[C@@H]1O.
What is the InChIKey of (1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol?
The InChIKey is PZLQBEUFDWQERV-TTZKSVMKSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-11-7-5-10(6-8-11)13(9-16)12-3-1-2-4-14(12)17/h5-8,12-14,17H,1-4,9,16H2/t12?,13-,14-/m0/s1.
What are the key properties of (1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol?
(1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 70378314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).