[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine

C13H19ClN2 — CID 102662791

IUPAC[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESCC1CCCN1Cc1ccc(CN)cc1Cl
InChIInChI=1S/C13H19ClN2/c1-10-3-2-6-16(10)9-12-5-4-11(8-15)7-13(12)14/h4-5,7,10H,2-3,6,8-9,15H2,1H3
InChIKeyRHJKFTDBKRNXAU-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.78
Rot. Bonds3

About [3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine

[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine (PubChem CID 102662791) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is [3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
PubChem CID102662791
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESCC1CCCN1Cc1ccc(CN)cc1Cl
InChIInChI=1S/C13H19ClN2/c1-10-3-2-6-16(10)9-12-5-4-11(8-15)7-13(12)14/h4-5,7,10H,2-3,6,8-9,15H2,1H3
InChIKeyRHJKFTDBKRNXAU-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 166594028
[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine
CID 102663098
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662919
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 23566973
2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 112553673
3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine
CID 155911587
[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662772
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 102662921
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine (CID 102662791) is [3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine is CC1CCCN1Cc1ccc(CN)cc1Cl.
What is the InChIKey of [3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is RHJKFTDBKRNXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-3-2-6-16(10)9-12-5-4-11(8-15)7-13(12)14/h4-5,7,10H,2-3,6,8-9,15H2,1H3.
What are the key properties of [3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 102662791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).