N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide

C17H27FN2O — CID 119569414

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide
SMILESCCC(CC)(CN)NC(=O)C(C)CCc1ccccc1F
InChIInChI=1S/C17H27FN2O/c1-4-17(5-2,12-19)20-16(21)13(3)10-11-14-8-6-7-9-15(14)18/h6-9,13H,4-5,10-12,19H2,1-3H3,(H,20,21)
InChIKeyRAMIATRKEHOUER-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.03
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide

N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide (PubChem CID 119569414) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide
PubChem CID119569414
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide
SMILESCCC(CC)(CN)NC(=O)C(C)CCc1ccccc1F
InChIInChI=1S/C17H27FN2O/c1-4-17(5-2,12-19)20-16(21)13(3)10-11-14-8-6-7-9-15(14)18/h6-9,13H,4-5,10-12,19H2,1-3H3,(H,20,21)
InChIKeyRAMIATRKEHOUER-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 111483443
N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119565655
4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-4-phenylbutanoic acid
CID 119201306
N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 119527902
(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
CID 119367658
N-[3-(aminomethyl)pentan-3-yl]-2,3-difluorobenzamide
CID 63767818
4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510877
(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
CID 124688628
2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid
CID 122109856
4-(2-fluorophenyl)butan-2-ol
CID 12618518
5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one
CID 116594933

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide (CID 119569414) is N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide is CCC(CC)(CN)NC(=O)C(C)CCc1ccccc1F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide?
The InChIKey is RAMIATRKEHOUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-17(5-2,12-19)20-16(21)13(3)10-11-14-8-6-7-9-15(14)18/h6-9,13H,4-5,10-12,19H2,1-3H3,(H,20,21).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide?
N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide has a molecular weight of 294.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 119569414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).