[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone

C14H19FN2O — CID 113322480

IUPAC[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(CN)CC2C)c(F)c1
InChIInChI=1S/C14H19FN2O/c1-9-3-4-12(13(15)5-9)14(18)17-8-11(7-16)6-10(17)2/h3-5,10-11H,6-8,16H2,1-2H3
InChIKeyKEMJTOKASZSXPQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.94
Rot. Bonds2

About [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone (PubChem CID 113322480) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
PubChem CID113322480
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(CN)CC2C)c(F)c1
InChIInChI=1S/C14H19FN2O/c1-9-3-4-12(13(15)5-9)14(18)17-8-11(7-16)6-10(17)2/h3-5,10-11H,6-8,16H2,1-2H3
InChIKeyKEMJTOKASZSXPQ-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 113322442
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103840455
(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017
1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 79777604
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 103840444
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 124517231
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 103840438
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 115491945
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone
CID 114269670
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-chloro-2-nitrophenyl)methanone
CID 115491876
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65462246
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 80504889

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone (CID 113322480) is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CC(CN)CC2C)c(F)c1.
What is the InChIKey of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is KEMJTOKASZSXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-3-4-12(13(15)5-9)14(18)17-8-11(7-16)6-10(17)2/h3-5,10-11H,6-8,16H2,1-2H3.
What are the key properties of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 250.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 113322480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).