2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide

C15H23FN2O — CID 55245761

IUPAC2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1ccc(C)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)7-14(15(19)17-4)18-9-12-6-5-11(3)13(16)8-12/h5-6,8,10,14,18H,7,9H2,1-4H3,(H,17,19)
InChIKeyMPYJDHFBDQQSCL-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.38
Rot. Bonds6

About 2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide

2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide (PubChem CID 55245761) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide
PubChem CID55245761
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1ccc(C)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)7-14(15(19)17-4)18-9-12-6-5-11(3)13(16)8-12/h5-6,8,10,14,18H,7,9H2,1-4H3,(H,17,19)
InChIKeyMPYJDHFBDQQSCL-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide 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

2-[(3,4-dihydroxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 43750577
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide
CID 115762137
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate
CID 43750662
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697509
2-[(3-fluoro-4-methylphenyl)methylamino]pentanoic acid
CID 65055420
methyl 2-[(3-fluoro-4-methylphenyl)methylamino]propanoate
CID 63646729
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
4-methyl-2-[(3,4,5-trifluorophenyl)methylamino]pentanoic acid
CID 55146013
2-N-[(3-fluoro-4-methylphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 63646229

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide (CID 55245761) is 2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NCc1ccc(C)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide?
The InChIKey is MPYJDHFBDQQSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(2)7-14(15(19)17-4)18-9-12-6-5-11(3)13(16)8-12/h5-6,8,10,14,18H,7,9H2,1-4H3,(H,17,19).
What are the key properties of 2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide?
2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide has a molecular weight of 266.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 55245761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).