1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide

C14H19FN2O — CID 80588473

IUPAC1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)N(C)c2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O/c1-10-7-14(8-10,9-16)13(18)17(2)12-5-3-4-11(15)6-12/h3-6,10H,7-9,16H2,1-2H3
InChIKeyZZRUJYTYUXFGBC-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.16
Rot. Bonds3

About 1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide

1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide (PubChem CID 80588473) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide
PubChem CID80588473
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)N(C)c2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O/c1-10-7-14(8-10,9-16)13(18)17(2)12-5-3-4-11(15)6-12/h3-6,10H,7-9,16H2,1-2H3
InChIKeyZZRUJYTYUXFGBC-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide
CID 114829091
3-ethyl-N-(3-fluorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 63142338
3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
CID 115185610
1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80587906
1-carbamothioyl-N-ethyl-N-(3-fluorophenyl)-3-methylcyclobutane-1-carboxamide
CID 80589160
1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182616
5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide
CID 113440979
(1S,6R)-6-[(3-fluorophenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962361
1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
CID 116655437
N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027780
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80599154
3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550637

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide (CID 80588473) is 1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide is CC1CC(CN)(C(=O)N(C)c2cccc(F)c2)C1.
What is the InChIKey of 1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is ZZRUJYTYUXFGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-7-14(8-10,9-16)13(18)17(2)12-5-3-4-11(15)6-12/h3-6,10H,7-9,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 80588473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).