2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide

C14H21FN2O — CID 115187012

IUPAC2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)Cc1ccc(F)c(C)c1
InChIInChI=1S/C14H21FN2O/c1-4-12(8-16)14(18)17(3)9-11-5-6-13(15)10(2)7-11/h5-7,12H,4,8-9,16H2,1-3H3
InChIKeyFKQGXRAAUFOGAL-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.08
Rot. Bonds5

About 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide

2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide (PubChem CID 115187012) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide
PubChem CID115187012
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)Cc1ccc(F)c(C)c1
InChIInChI=1S/C14H21FN2O/c1-4-12(8-16)14(18)17(3)9-11-5-6-13(15)10(2)7-11/h5-7,12H,4,8-9,16H2,1-3H3
InChIKeyFKQGXRAAUFOGAL-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide
CID 115187558
2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
CID 115186879
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide
CID 62122108
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide
CID 115187078
2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide
CID 115187031
2-(aminomethyl)-N-methyl-N-[(3-nitrophenyl)methyl]butanamide
CID 65227283
methyl 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)propanoate
CID 62121590
2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid
CID 65063229
2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
CID 107471089
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
CID 62121929
2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide
CID 65230074
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide (CID 115187012) is 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide is CCC(CN)C(=O)N(C)Cc1ccc(F)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide?
The InChIKey is FKQGXRAAUFOGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-12(8-16)14(18)17(3)9-11-5-6-13(15)10(2)7-11/h5-7,12H,4,8-9,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide?
2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 115187012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).