N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine

C13H19FN2 — CID 107424604

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine
SMILESCc1cc(F)ccc1CNC1(C)CCNC1
InChIInChI=1S/C13H19FN2/c1-10-7-12(14)4-3-11(10)8-16-13(2)5-6-15-9-13/h3-4,7,15-16H,5-6,8-9H2,1-2H3
InChIKeyHSFSBBDKUMOTJU-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.98
Rot. Bonds3

About N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine

N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine (PubChem CID 107424604) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine
PubChem CID107424604
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine
SMILESCc1cc(F)ccc1CNC1(C)CCNC1
InChIInChI=1S/C13H19FN2/c1-10-7-12(14)4-3-11(10)8-16-13(2)5-6-15-9-13/h3-4,7,15-16H,5-6,8-9H2,1-2H3
InChIKeyHSFSBBDKUMOTJU-UHFFFAOYSA-N
XLogP1.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423450
N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424600
N-(5-fluoro-2-methylphenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423548
N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine
CID 115968076
1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine
CID 114349116
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423886
N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424086
2-[(4-fluoro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907656
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
3-methyl-4-[[(1-methylcyclopropyl)amino]methyl]benzonitrile
CID 114480812
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 114349812
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine (CID 107424604) is N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine is Cc1cc(F)ccc1CNC1(C)CCNC1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine?
The InChIKey is HSFSBBDKUMOTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-7-12(14)4-3-11(10)8-16-13(2)5-6-15-9-13/h3-4,7,15-16H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine has a molecular weight of 222.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 107424604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).