N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline

C16H16F3N — CID 63539979

IUPACN-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
SMILESCc1cccc(CCNc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3N/c1-12-3-2-4-13(11-12)9-10-20-15-7-5-14(6-8-15)16(17,18)19/h2-8,11,20H,9-10H2,1H3
InChIKeyZVFNSXZKDLQJTR-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.67
Rot. Bonds4

About N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline

N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline (PubChem CID 63539979) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
PubChem CID63539979
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
SMILESCc1cccc(CCNc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3N/c1-12-3-2-4-13(11-12)9-10-20-15-7-5-14(6-8-15)16(17,18)19/h2-8,11,20H,9-10H2,1H3
InChIKeyZVFNSXZKDLQJTR-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane
CID 90944409
3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 144539851
1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone
CID 114468210
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 108996969
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
N-[2-[3-[2-[3,5-bis(trifluoromethyl)anilino]ethyl]phenyl]ethyl]-3,5-bis(trifluoromethyl)aniline
CID 139132044
4-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314669
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline (CID 63539979) is N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline is Cc1cccc(CCNc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline?
The InChIKey is ZVFNSXZKDLQJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-12-3-2-4-13(11-12)9-10-20-15-7-5-14(6-8-15)16(17,18)19/h2-8,11,20H,9-10H2,1H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline?
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline has a molecular weight of 279.31 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 63539979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).