[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine

C12H16ClFN2 — CID 102616960

IUPAC[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H16ClFN2/c13-12-2-1-11(14)5-10(12)8-16-4-3-9(6-15)7-16/h1-2,5,9H,3-4,6-8,15H2
InChIKeyQIHHGAMNGJNSQU-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.26
Rot. Bonds3

About [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine

[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 102616960) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID102616960
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H16ClFN2/c13-12-2-1-11(14)5-10(12)8-16-4-3-9(6-15)7-16/h1-2,5,9H,3-4,6-8,15H2
InChIKeyQIHHGAMNGJNSQU-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620188
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267587
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 102616382
[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
CID 64570029
2-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99826521
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine (CID 102616960) is [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine is NCC1CCN(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is QIHHGAMNGJNSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-12-2-1-11(14)5-10(12)8-16-4-3-9(6-15)7-16/h1-2,5,9H,3-4,6-8,15H2.
What are the key properties of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 242.72 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 102616960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).