N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline

C16H16F3NO — CID 43758496

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
SMILESCOc1ccc(CNc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C16H16F3NO/c1-11-8-12(6-7-15(11)21-2)10-20-14-5-3-4-13(9-14)16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyNAUMQIXNHILEOP-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.63
Rot. Bonds4

About N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline

N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 43758496) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
PubChem CID43758496
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
SMILESCOc1ccc(CNc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C16H16F3NO/c1-11-8-12(6-7-15(11)21-2)10-20-14-5-3-4-13(9-14)16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyNAUMQIXNHILEOP-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43762883
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline
CID 43769003
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 791955
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(4-propan-2-ylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 29270698
3-bromo-4-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 104775863
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 43235500

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline (CID 43758496) is N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline is COc1ccc(CNc2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is NAUMQIXNHILEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-8-12(6-7-15(11)21-2)10-20-14-5-3-4-13(9-14)16(17,18)19/h3-9,20H,10H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline?
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 295.30 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43758496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).