N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide

C19H21F3N2O2 — CID 120605307

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1CC(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-12(2)26-17-6-4-3-5-14(17)9-18(25)24-16-8-13(11-23)7-15(10-16)19(20,21)22/h3-8,10,12H,9,11,23H2,1-2H3,(H,24,25)
InChIKeyIQNARZOVQRDDEB-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.13
Rot. Bonds6

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 120605307) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide
PubChem CID120605307
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1CC(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-12(2)26-17-6-4-3-5-14(17)9-18(25)24-16-8-13(11-23)7-15(10-16)19(20,21)22/h3-8,10,12H,9,11,23H2,1-2H3,(H,24,25)
InChIKeyIQNARZOVQRDDEB-UHFFFAOYSA-N
XLogP4.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-(2-fluorophenoxy)butanamide
CID 120605051
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 120605696
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 120605363
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide;hydrochloride
CID 120604922
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide
CID 120604625
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 120604965
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)acetamide
CID 120604571
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60620663
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 120605235
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylsulfanylphenoxy)propanamide;hydrochloride
CID 120604978
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 120605110
2-[acetyl(methyl)amino]-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]acetamide
CID 120605357

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide (CID 120605307) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1CC(=O)Nc1cc(CN)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is IQNARZOVQRDDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-12(2)26-17-6-4-3-5-14(17)9-18(25)24-16-8-13(11-23)7-15(10-16)19(20,21)22/h3-8,10,12H,9,11,23H2,1-2H3,(H,24,25).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 366.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 120605307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).