[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine

C13H19FN2 — CID 62134988

IUPAC[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1cc(F)ccc1CN1CCC(CN)C1
InChIInChI=1S/C13H19FN2/c1-10-6-13(14)3-2-12(10)9-16-5-4-11(7-15)8-16/h2-3,6,11H,4-5,7-9,15H2,1H3
InChIKeyNSFNHIIUSCNZJO-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.91
Rot. Bonds3

About [1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine

[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62134988) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is [1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID62134988
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1cc(F)ccc1CN1CCC(CN)C1
InChIInChI=1S/C13H19FN2/c1-10-6-13(14)3-2-12(10)9-16-5-4-11(7-15)8-16/h2-3,6,11H,4-5,7-9,15H2,1H3
InChIKeyNSFNHIIUSCNZJO-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
4-chloro-1-[(4-fluoro-2-methylphenyl)methyl]piperidine
CID 114349079
[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
CID 64570029
(3R,4S)-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-3,4-diol
CID 103887198
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzene-1,3-diol
CID 62069266
[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834617
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
CID 114478921
[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 103351708
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267587

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine (CID 62134988) is [1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine is Cc1cc(F)ccc1CN1CCC(CN)C1.
What is the InChIKey of [1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is NSFNHIIUSCNZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-6-13(14)3-2-12(10)9-16-5-4-11(7-15)8-16/h2-3,6,11H,4-5,7-9,15H2,1H3.
What are the key properties of [1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 222.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62134988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).