cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol

C15H22ClNO — CID 57084469

IUPACcis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol
SMILESNC[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCC[C@@H]1O
InChIInChI=1S/C15H22ClNO/c16-12-8-6-11(7-9-12)14(10-17)13-4-2-1-3-5-15(13)18/h6-9,13-15,18H,1-5,10,17H2/t13-,14-,15-/m0/s1
InChIKeyHYEFPZYAQWAYLP-KKUMJFAQSA-N
MW267.80 g/mol
LogP3.32
Rot. Bonds3

About cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol

cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol (PubChem CID 57084469) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol
PubChem CID57084469
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Namecis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol
SMILESNC[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCC[C@@H]1O
InChIInChI=1S/C15H22ClNO/c16-12-8-6-11(7-9-12)14(10-17)13-4-2-1-3-5-15(13)18/h6-9,13-15,18H,1-5,10,17H2/t13-,14-,15-/m0/s1
InChIKeyHYEFPZYAQWAYLP-KKUMJFAQSA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol
CID 70378314
trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
CID 70440886
2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 45358024
2-(4-chlorophenyl)-2-piperidin-2-ylethanamine
CID 83986370
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
3-(2-amino-1-phenylethyl)piperidin-4-ol
CID 68810626
(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 70378403
1-chloro-4-(1,2-dicyclohexylethyl)benzene
CID 57050049
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519
3-(4-chlorophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418786
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol?
The IUPAC name of cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol (CID 57084469) is cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol is NC[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol?
The InChIKey is HYEFPZYAQWAYLP-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-12-8-6-11(7-9-12)14(10-17)13-4-2-1-3-5-15(13)18/h6-9,13-15,18H,1-5,10,17H2/t13-,14-,15-/m0/s1.
What are the key properties of cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol?
cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol is sourced from PubChem (CID 57084469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).