2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol

C14H20ClNO — CID 61053941

IUPAC2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol
SMILESCC(CO)(NC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-14(10-17,16-13-7-2-3-8-13)11-5-4-6-12(15)9-11/h4-6,9,13,16-17H,2-3,7-8,10H2,1H3
InChIKeyHJZSAIZTDRZLJL-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.08
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol

2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol (PubChem CID 61053941) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol
PubChem CID61053941
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol
SMILESCC(CO)(NC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-14(10-17,16-13-7-2-3-8-13)11-5-4-6-12(15)9-11/h4-6,9,13,16-17H,2-3,7-8,10H2,1H3
InChIKeyHJZSAIZTDRZLJL-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
CID 61310488
2-(cyclohexylamino)-2-(3-fluorophenyl)propan-1-ol
CID 61047305
2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466
2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61047114
2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
CID 61055167
2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
CID 60998078
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 61046929
1-(3-chlorophenyl)-1-cyclohexylethanol
CID 43810110
2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol
CID 61047112
2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61055166

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol (CID 61053941) is 2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol is CC(CO)(NC1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol?
The InChIKey is HJZSAIZTDRZLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(10-17,16-13-7-2-3-8-13)11-5-4-6-12(15)9-11/h4-6,9,13,16-17H,2-3,7-8,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol?
2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol is sourced from PubChem (CID 61053941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).