2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide

C16H25FN2O — CID 107472487

IUPAC2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide
SMILESC[C@H](NC(=O)C(CN)CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-11(12-5-7-14(17)8-6-12)19-15(20)13(10-18)9-16(2,3)4/h5-8,11,13H,9-10,18H2,1-4H3,(H,19,20)/t11-,13?/m0/s1
InChIKeyFYYLXLXFPPZINH-AMGKYWFPSA-N
MW280.39 g/mol
LogP3.01
Rot. Bonds5

About 2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide (PubChem CID 107472487) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide
PubChem CID107472487
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide
SMILESC[C@H](NC(=O)C(CN)CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-11(12-5-7-14(17)8-6-12)19-15(20)13(10-18)9-16(2,3)4/h5-8,11,13H,9-10,18H2,1-4H3,(H,19,20)/t11-,13?/m0/s1
InChIKeyFYYLXLXFPPZINH-AMGKYWFPSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-4,4-dimethylpentanamide
CID 107472449
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787
2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide
CID 107472507
2-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 61267029
2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide
CID 65224904
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-(aminomethyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354281
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
CID 65228834
2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354622

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide (CID 107472487) is 2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide is C[C@H](NC(=O)C(CN)CC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide?
The InChIKey is FYYLXLXFPPZINH-AMGKYWFPSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11(12-5-7-14(17)8-6-12)19-15(20)13(10-18)9-16(2,3)4/h5-8,11,13H,9-10,18H2,1-4H3,(H,19,20)/t11-,13?/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide has a molecular weight of 280.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107472487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).