N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride

C18H20ClF3N2O3 — CID 120604652

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
SMILESCOc1ccc(OCCC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C18H19F3N2O3.ClH/c1-25-15-2-4-16(5-3-15)26-7-6-17(24)23-14-9-12(11-22)8-13(10-14)18(19,20)21;/h2-5,8-10H,6-7,11,22H2,1H3,(H,23,24);1H
InChIKeySNMVFSJGTKFXMD-UHFFFAOYSA-N
MW404.82 g/mol
LogP4.00
Rot. Bonds7

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride (PubChem CID 120604652) has the molecular formula C18H20ClF3N2O3 and a molecular weight of 404.82 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
PubChem CID120604652
Molecular FormulaC18H20ClF3N2O3
Molecular Weight404.82 g/mol
Exact Mass404.11
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
SMILESCOc1ccc(OCCC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C18H19F3N2O3.ClH/c1-25-15-2-4-16(5-3-15)26-7-6-17(24)23-14-9-12(11-22)8-13(10-14)18(19,20)21;/h2-5,8-10H,6-7,11,22H2,1H3,(H,23,24);1H
InChIKeySNMVFSJGTKFXMD-UHFFFAOYSA-N
XLogP4.00
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 120605110
N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 108795497
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 120605235
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 120605538
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 120605696
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-(2-fluorophenoxy)butanamide
CID 120605051
N-(2-acetamidoethyl)-N'-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]butanediamide;hydrochloride
CID 120605296
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]pent-4-enamide
CID 120604945
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-N',N'-diethylbutanediamide
CID 120604853
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 120605363
2-[acetyl(methyl)amino]-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]acetamide
CID 120605357
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 120604898

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride (CID 120604652) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride is COc1ccc(OCCC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)cc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride?
The InChIKey is SNMVFSJGTKFXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3.ClH/c1-25-15-2-4-16(5-3-15)26-7-6-17(24)23-14-9-12(11-22)8-13(10-14)18(19,20)21;/h2-5,8-10H,6-7,11,22H2,1H3,(H,23,24);1H.
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride has a molecular weight of 404.82 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 120604652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).