1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

C14H21ClN2 — CID 113260530

IUPAC1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCC(NCC1CCCN1C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11(12-5-3-6-13(15)9-12)16-10-14-7-4-8-17(14)2/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3
InChIKeyXNFJRUWHVSWRHZ-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.08
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 113260530) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID113260530
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCC(NCC1CCCN1C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11(12-5-3-6-13(15)9-12)16-10-14-7-4-8-17(14)2/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3
InChIKeyXNFJRUWHVSWRHZ-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
(1S)-1-(3-bromophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81381366
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260519
1-(3-chlorophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625455
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103778943
1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43195864
(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81349160
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828
(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
CID 114223881

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (CID 113260530) is 1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is CC(NCC1CCCN1C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is XNFJRUWHVSWRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(12-5-3-6-13(15)9-12)16-10-14-7-4-8-17(14)2/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 113260530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).