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

C15H21FN2O — CID 106344221

IUPAC2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide
SMILESCC(C)C(NC(c1ccc(F)cc1)C1CC1)C(N)=O
InChIInChI=1S/C15H21FN2O/c1-9(2)13(15(17)19)18-14(10-3-4-10)11-5-7-12(16)8-6-11/h5-10,13-14,18H,3-4H2,1-2H3,(H2,17,19)
InChIKeyRDRFOBYYFQRMKO-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.38
Rot. Bonds6

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

2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide (PubChem CID 106344221) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide
PubChem CID106344221
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide
SMILESCC(C)C(NC(c1ccc(F)cc1)C1CC1)C(N)=O
InChIInChI=1S/C15H21FN2O/c1-9(2)13(15(17)19)18-14(10-3-4-10)11-5-7-12(16)8-6-11/h5-10,13-14,18H,3-4H2,1-2H3,(H2,17,19)
InChIKeyRDRFOBYYFQRMKO-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate
CID 61498267
methyl (2S)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate
CID 43425691
methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate
CID 43782293
methyl 2-[[cyclopropyl(phenyl)methyl]amino]-3-methylbutanoate
CID 60722411
4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide
CID 43791713
N-[cyclopropyl-(4-fluorophenyl)methyl]but-3-yn-2-amine
CID 114414872
2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide
CID 43792190
(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
CID 81384662
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
tert-butyl N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]carbamate
CID 107248301
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide (CID 106344221) is 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide is CC(C)C(NC(c1ccc(F)cc1)C1CC1)C(N)=O.
What is the InChIKey of 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide?
The InChIKey is RDRFOBYYFQRMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-9(2)13(15(17)19)18-14(10-3-4-10)11-5-7-12(16)8-6-11/h5-10,13-14,18H,3-4H2,1-2H3,(H2,17,19).
What are the key properties of 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide?
2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide has a molecular weight of 264.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide is sourced from PubChem (CID 106344221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).