1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide

C15H21FN2O — CID 80587906

IUPAC1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC(C)c2cccc(F)c2)C1
InChIInChI=1S/C15H21FN2O/c1-10-7-15(8-10,9-17)14(19)18-11(2)12-4-3-5-13(16)6-12/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,19)
InChIKeyRBUCGZOLPKHLHF-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.38
Rot. Bonds4

About 1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 80587906) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
PubChem CID80587906
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC(C)c2cccc(F)c2)C1
InChIInChI=1S/C15H21FN2O/c1-10-7-15(8-10,9-17)14(19)18-11(2)12-4-3-5-13(16)6-12/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,19)
InChIKeyRBUCGZOLPKHLHF-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115442476
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81352065
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81353099
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 115452527
1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 106217378
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119716410

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide (CID 80587906) is 1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NC(C)c2cccc(F)c2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is RBUCGZOLPKHLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-7-15(8-10,9-17)14(19)18-11(2)12-4-3-5-13(16)6-12/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80587906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).