N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline

C16H16F3NO — CID 63535943

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
SMILESCOc1ccc(CCNc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO/c1-21-15-8-2-12(3-9-15)10-11-20-14-6-4-13(5-7-14)16(17,18)19/h2-9,20H,10-11H2,1H3
InChIKeyPXLAASWAVKOYOX-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.37
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline (PubChem CID 63535943) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
PubChem CID63535943
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
SMILESCOc1ccc(CCNc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO/c1-21-15-8-2-12(3-9-15)10-11-20-14-6-4-13(5-7-14)16(17,18)19/h2-9,20H,10-11H2,1H3
InChIKeyPXLAASWAVKOYOX-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
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4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide
CID 145463915
6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 117088064
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111169337
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
3-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]aniline;2-[4-(trifluoromethyl)phenyl]acetic acid
CID 162022278
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 109001296
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CID 108839068

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline (CID 63535943) is N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline is COc1ccc(CCNc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline?
The InChIKey is PXLAASWAVKOYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-21-15-8-2-12(3-9-15)10-11-20-14-6-4-13(5-7-14)16(17,18)19/h2-9,20H,10-11H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline?
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline has a molecular weight of 295.30 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 63535943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).