N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide

C14H17F3N2O — CID 114758864

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide
SMILESNCCC1(CNC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-3-1-2-10(8-11)12(20)19-9-13(4-5-13)6-7-18/h1-3,8H,4-7,9,18H2,(H,19,20)
InChIKeyLDHGIUSZXTZWLE-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.56
Rot. Bonds5

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 114758864) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID114758864
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide
SMILESNCCC1(CNC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-3-1-2-10(8-11)12(20)19-9-13(4-5-13)6-7-18/h1-3,8H,4-7,9,18H2,(H,19,20)
InChIKeyLDHGIUSZXTZWLE-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
CID 4553132
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
N-[(2-methylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 114761880
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 115456909
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride
CID 119772767
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 69170249
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide
CID 115456719
3-[(1-ethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 113352929
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 114758444

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide (CID 114758864) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide is NCCC1(CNC(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LDHGIUSZXTZWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)11-3-1-2-10(8-11)12(20)19-9-13(4-5-13)6-7-18/h1-3,8H,4-7,9,18H2,(H,19,20).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 114758864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).