3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol

C17H27ClN2O — CID 62469479

IUPAC3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCC(N)C(c1cccc(Cl)c1)N1CCCC1CCCO
InChIInChI=1S/C17H27ClN2O/c1-2-16(19)17(13-6-3-7-14(18)12-13)20-10-4-8-15(20)9-5-11-21/h3,6-7,12,15-17,21H,2,4-5,8-11,19H2,1H3
InChIKeyABTFRGOMPSVWEN-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.36
Rot. Bonds7

About 3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469479) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62469479
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCC(N)C(c1cccc(Cl)c1)N1CCCC1CCCO
InChIInChI=1S/C17H27ClN2O/c1-2-16(19)17(13-6-3-7-14(18)12-13)20-10-4-8-15(20)9-5-11-21/h3,6-7,12,15-17,21H,2,4-5,8-11,19H2,1H3
InChIKeyABTFRGOMPSVWEN-UHFFFAOYSA-N
XLogP3.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-chlorophenyl)butan-2-amine
CID 65319355
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053219
1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine
CID 62330118
3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55075970
1-(3-chlorophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66393212
1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide
CID 55019931
3-[1-[2-amino-1-(5-methylfuran-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467339
3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62469480
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053735
3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
CID 55076018
1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987402

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol (CID 62469479) is 3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol is CCC(N)C(c1cccc(Cl)c1)N1CCCC1CCCO.
What is the InChIKey of 3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ABTFRGOMPSVWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-2-16(19)17(13-6-3-7-14(18)12-13)20-10-4-8-15(20)9-5-11-21/h3,6-7,12,15-17,21H,2,4-5,8-11,19H2,1H3.
What are the key properties of 3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 310.87 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).