1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide

C12H15FN2O — CID 80587002

IUPAC1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-15-11(16)12(8-14)5-6-12/h1-4H,5-8,14H2,(H,15,16)
InChIKeyGSAPSNHCRFEVTI-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.18
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 80587002) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID80587002
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-15-11(16)12(8-14)5-6-12/h1-4H,5-8,14H2,(H,15,16)
InChIKeyGSAPSNHCRFEVTI-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
CID 115453093
1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 116601171
1-(aminomethyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115182668
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80592729
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 81485479
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
4-(aminomethyl)-N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120923512

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide (CID 80587002) is 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide is NCC1(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is GSAPSNHCRFEVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-15-11(16)12(8-14)5-6-12/h1-4H,5-8,14H2,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80587002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).