1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide

C14H17F3N2O — CID 115452527

IUPAC1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-9(19-12(20)13(8-18)5-6-13)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,9H,5-6,8,18H2,1H3,(H,19,20)
InChIKeySHZRRFGGRLEIMD-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.62
Rot. Bonds4

About 1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 115452527) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
PubChem CID115452527
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-9(19-12(20)13(8-18)5-6-13)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,9H,5-6,8,18H2,1H3,(H,19,20)
InChIKeySHZRRFGGRLEIMD-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 119686311
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119716410
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide
CID 115444286
1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115442476
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
CID 115439767
N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
CID 115448197
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide (CID 115452527) is 1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1(CN)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is SHZRRFGGRLEIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9(19-12(20)13(8-18)5-6-13)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,9H,5-6,8,18H2,1H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 2.62, 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-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).