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

C15H22ClNO — CID 81352634

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol
SMILESC[C@@H](NC1CCCCCC1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-2-4-6-15(14)18/h7-11,14-15,17-18H,2-6H2,1H3/t11-,14?,15?/m1/s1
InChIKeyYZUBHRZIFKBTAE-VCANKDNSSA-N
MW267.80 g/mol
LogP3.68
Rot. Bonds3

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

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol (PubChem CID 81352634) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol
PubChem CID81352634
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol
SMILESC[C@@H](NC1CCCCCC1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-2-4-6-15(14)18/h7-11,14-15,17-18H,2-6H2,1H3/t11-,14?,15?/m1/s1
InChIKeyYZUBHRZIFKBTAE-VCANKDNSSA-N
XLogP3.68
TPSA32.26 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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81352447
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
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81351968
2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol
CID 115891348
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol (CID 81352634) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol is C[C@@H](NC1CCCCCC1O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol?
The InChIKey is YZUBHRZIFKBTAE-VCANKDNSSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-2-4-6-15(14)18/h7-11,14-15,17-18H,2-6H2,1H3/t11-,14?,15?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.68, 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]cycloheptan-1-ol is sourced from PubChem (CID 81352634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).