4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide

C15H23FN2O — CID 115157607

IUPAC4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide
SMILESCc1cc(CCNC(=O)CCC(C)(C)N)ccc1F
InChIInChI=1S/C15H23FN2O/c1-11-10-12(4-5-13(11)16)7-9-18-14(19)6-8-15(2,3)17/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyDZYOOIFGNQHMKX-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.31
Rot. Bonds6

About 4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide

4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide (PubChem CID 115157607) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide
PubChem CID115157607
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide
SMILESCc1cc(CCNC(=O)CCC(C)(C)N)ccc1F
InChIInChI=1S/C15H23FN2O/c1-11-10-12(4-5-13(11)16)7-9-18-14(19)6-8-15(2,3)17/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyDZYOOIFGNQHMKX-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide 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

N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140036
1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
CID 115169314
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide
CID 115157613
3-N-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134906
4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide
CID 82819149
2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
CID 82492265
1-[2-(4-fluoro-3-methylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181931
N-[2-(3,4-difluorophenyl)ethyl]-3-sulfanylpropanamide
CID 115168012
6-amino-N-[2-(4-hydroxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 65292067
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide
CID 109024994
2-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250409

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide (CID 115157607) is 4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide is Cc1cc(CCNC(=O)CCC(C)(C)N)ccc1F.
What is the InChIKey of 4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide?
The InChIKey is DZYOOIFGNQHMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11-10-12(4-5-13(11)16)7-9-18-14(19)6-8-15(2,3)17/h4-5,10H,6-9,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide?
4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide has a molecular weight of 266.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 115157607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).