2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide

C14H21FN2O — CID 113270004

IUPAC2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-3-14(2,10-16)13(18)17-9-8-11-4-6-12(15)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyUNESOPWYNZIWBM-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.86
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide

2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide (PubChem CID 113270004) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
PubChem CID113270004
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-3-14(2,10-16)13(18)17-9-8-11-4-6-12(15)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyUNESOPWYNZIWBM-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide 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-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide
CID 65265022
4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 115157410
3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115154707
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
N-[2-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111230275
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
2,2-diethyl-4-[2-(4-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 43397364

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide (CID 113270004) is 2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide is CCC(C)(CN)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide?
The InChIKey is UNESOPWYNZIWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-14(2,10-16)13(18)17-9-8-11-4-6-12(15)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide?
2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 113270004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).