2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide

C16H23FN2O — CID 65230166

IUPAC2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-11(2)15(9-18)16(20)19(14-7-8-14)10-12-3-5-13(17)6-4-12/h3-6,11,14-15H,7-10,18H2,1-2H3
InChIKeySOXDTWBKUJMIJK-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.55
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide

2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide (PubChem CID 65230166) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
PubChem CID65230166
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-11(2)15(9-18)16(20)19(14-7-8-14)10-12-3-5-13(17)6-4-12/h3-6,11,14-15H,7-10,18H2,1-2H3
InChIKeySOXDTWBKUJMIJK-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 65227497
4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 81076206
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 65229877
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533
4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 80543130

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide (CID 65230166) is 2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide is CC(C)C(CN)C(=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The InChIKey is SOXDTWBKUJMIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(2)15(9-18)16(20)19(14-7-8-14)10-12-3-5-13(17)6-4-12/h3-6,11,14-15H,7-10,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide has a molecular weight of 278.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 65230166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).