N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide

C15H21FN2O — CID 119731221

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O/c1-11(9-17-2)14(19)18-10-15(7-8-15)12-3-5-13(16)6-4-12/h3-6,11,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyPTOIJHOSWQTOFN-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.83
Rot. Bonds6

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119731221) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119731221
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O/c1-11(9-17-2)14(19)18-10-15(7-8-15)12-3-5-13(16)6-4-12/h3-6,11,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyPTOIJHOSWQTOFN-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide
CID 110482473
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
N-[1-(4-fluorophenyl)cyclopentyl]-2-methyl-3-(methylamino)propanamide
CID 119752714
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea
CID 111337214
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylsulfanylbutanamide
CID 119293591
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131944233
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide (CID 119731221) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is PTOIJHOSWQTOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(9-17-2)14(19)18-10-15(7-8-15)12-3-5-13(16)6-4-12/h3-6,11,17H,7-10H2,1-2H3,(H,18,19).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 264.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119731221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).