4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride

C18H20ClF3N2O2 — CID 119303259

IUPAC4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
SMILESCC(NC(=O)c1ccc(CN)cc1)c1ccc(OCC(F)(F)F)cc1.Cl
InChIInChI=1S/C18H19F3N2O2.ClH/c1-12(23-17(24)15-4-2-13(10-22)3-5-15)14-6-8-16(9-7-14)25-11-18(19,20)21;/h2-9,12H,10-11,22H2,1H3,(H,23,24);1H
InChIKeyWEYYSYIRPOQWAP-UHFFFAOYSA-N
MW388.82 g/mol
LogP4.00
Rot. Bonds6

About 4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride

4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride (PubChem CID 119303259) has the molecular formula C18H20ClF3N2O2 and a molecular weight of 388.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
PubChem CID119303259
Molecular FormulaC18H20ClF3N2O2
Molecular Weight388.82 g/mol
Exact Mass388.12
IUPAC Name4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
SMILESCC(NC(=O)c1ccc(CN)cc1)c1ccc(OCC(F)(F)F)cc1.Cl
InChIInChI=1S/C18H19F3N2O2.ClH/c1-12(23-17(24)15-4-2-13(10-22)3-5-15)14-6-8-16(9-7-14)25-11-18(19,20)21;/h2-9,12H,10-11,22H2,1H3,(H,23,24);1H
InChIKeyWEYYSYIRPOQWAP-UHFFFAOYSA-N
XLogP4.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748696
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205402
2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119748726
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119303272
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570
2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
CID 120667813
1-[1-(4-bromophenyl)ethyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112808744
2,2,2-trifluoroethyl N-[1-(4-ethoxyphenyl)ethyl]carbamate
CID 60705841
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119273373
2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119748722

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride (CID 119303259) is 4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride is CC(NC(=O)c1ccc(CN)cc1)c1ccc(OCC(F)(F)F)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride?
The InChIKey is WEYYSYIRPOQWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2.ClH/c1-12(23-17(24)15-4-2-13(10-22)3-5-15)14-6-8-16(9-7-14)25-11-18(19,20)21;/h2-9,12H,10-11,22H2,1H3,(H,23,24);1H.
What are the key properties of 4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119303259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).