N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide

C15H21FN2O — CID 115272705

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
SMILESCN(CC1(CN)CC1)C(=O)CCc1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-18(11-15(10-17)7-8-15)14(19)6-5-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11,17H2,1H3
InChIKeySKQBIBYBOOLOFX-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.96
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide (PubChem CID 115272705) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
PubChem CID115272705
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
SMILESCN(CC1(CN)CC1)C(=O)CCc1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-18(11-15(10-17)7-8-15)14(19)6-5-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11,17H2,1H3
InChIKeySKQBIBYBOOLOFX-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 115272703
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide
CID 115271381
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 115245973
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide
CID 115272670
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 115267710
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide
CID 115272725
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 51983037
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115272674
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide (CID 115272705) is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide is CN(CC1(CN)CC1)C(=O)CCc1cccc(F)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide?
The InChIKey is SKQBIBYBOOLOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-18(11-15(10-17)7-8-15)14(19)6-5-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11,17H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide has a molecular weight of 264.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 115272705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).