N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide

C15H19F3N2O — CID 120605277

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide
SMILESCCC1(C)CC1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c1-3-14(2)7-12(14)13(21)20-11-5-9(8-19)4-10(6-11)15(16,17)18/h4-6,12H,3,7-8,19H2,1-2H3,(H,20,21)
InChIKeySKYAJWQPHGUQGV-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.54
Rot. Bonds4

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide (PubChem CID 120605277) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide
PubChem CID120605277
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide
SMILESCCC1(C)CC1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c1-3-14(2)7-12(14)13(21)20-11-5-9(8-19)4-10(6-11)15(16,17)18/h4-6,12H,3,7-8,19H2,1-2H3,(H,20,21)
InChIKeySKYAJWQPHGUQGV-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 120604991
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 120604965
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 120604551
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
CID 120605354
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide
CID 120604549
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 120605419
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 120605696
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide;hydrochloride
CID 120604922

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide (CID 120605277) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide is CCC1(C)CC1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide?
The InChIKey is SKYAJWQPHGUQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-3-14(2)7-12(14)13(21)20-11-5-9(8-19)4-10(6-11)15(16,17)18/h4-6,12H,3,7-8,19H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 120605277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).