N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine

C25H21F3N2O — CID 174518702

IUPACN-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine
SMILESCOc1ccccc1CNCc1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C25H21F3N2O/c1-31-23-11-3-2-7-19(23)16-29-15-17-6-4-8-18(14-17)20-12-13-30-24-21(20)9-5-10-22(24)25(26,27)28/h2-14,29H,15-16H2,1H3
InChIKeyUZLJXLRYERXCOC-UHFFFAOYSA-N
MW422.45 g/mol
LogP6.22
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine

N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine (PubChem CID 174518702) has the molecular formula C25H21F3N2O and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine
PubChem CID174518702
Molecular FormulaC25H21F3N2O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine
SMILESCOc1ccccc1CNCc1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C25H21F3N2O/c1-31-23-11-3-2-7-19(23)16-29-15-17-6-4-8-18(14-17)20-12-13-30-24-21(20)9-5-10-22(24)25(26,27)28/h2-14,29H,15-16H2,1H3
InChIKeyUZLJXLRYERXCOC-UHFFFAOYSA-N
XLogP6.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methyl]aniline
CID 174518717
2-[5-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]naphthalen-1-yl]acetic acid
CID 25226322
2-[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalen-1-yl]acetic acid
CID 25225379
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292
N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 90903736
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
N-[(3-nitrophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518806
N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518869
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
CID 66914046
6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid
CID 25224643
1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine (CID 174518702) is N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine is COc1ccccc1CNCc1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine?
The InChIKey is UZLJXLRYERXCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O/c1-31-23-11-3-2-7-19(23)16-29-15-17-6-4-8-18(14-17)20-12-13-30-24-21(20)9-5-10-22(24)25(26,27)28/h2-14,29H,15-16H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine?
N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine has a molecular weight of 422.45 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine is sourced from PubChem (CID 174518702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).