[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine

C12H16ClFN2 — CID 115311652

IUPAC[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2/c13-11-4-3-9(6-12(11)14)8-16-5-1-2-10(16)7-15/h3-4,6,10H,1-2,5,7-8,15H2
InChIKeyAEHWCMMHHNKVEX-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.40
Rot. Bonds3

About [1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine

[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 115311652) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is [1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID115311652
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2/c13-11-4-3-9(6-12(11)14)8-16-5-1-2-10(16)7-15/h3-4,6,10H,1-2,5,7-8,15H2
InChIKeyAEHWCMMHHNKVEX-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
[1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80504679
2-(2-bromoethyl)-1-[(4-chloro-3-fluorophenyl)methyl]piperidine
CID 107887471
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[1-[(4-chloro-3-nitrophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113335455
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 114077036
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120966357
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115524682
2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine
CID 103041371
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine (CID 115311652) is [1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of [1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is AEHWCMMHHNKVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-11-4-3-9(6-12(11)14)8-16-5-1-2-10(16)7-15/h3-4,6,10H,1-2,5,7-8,15H2.
What are the key properties of [1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 242.72 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115311652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).