1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine

C14H21ClN2 — CID 2757853

IUPAC1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(CCN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-16-14(8-11-17-9-2-3-10-17)12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3
InChIKeyHTBYEDLGYDDTFB-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.09
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine

1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 2757853) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID2757853
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(CCN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-16-14(8-11-17-9-2-3-10-17)12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3
InChIKeyHTBYEDLGYDDTFB-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)-N-methylpropan-1-amine
CID 79933460
[1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62642989
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308
1-(4-chlorophenyl)-3-(2,3-dimethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62643283
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
1-(4-fluorophenyl)-N-methyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62644041
1-(4-chlorophenyl)-3-(1,4-oxazepan-4-yl)-N-propylpropan-1-amine
CID 62972105
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
CID 53487609

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 2757853) is 1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine is CNC(CCN1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is HTBYEDLGYDDTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-16-14(8-11-17-9-2-3-10-17)12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine?
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 2757853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).