N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline

C15H13ClF3NO — CID 65022462

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
SMILESCOc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-21-14-7-2-10(8-13(14)16)9-20-12-5-3-11(4-6-12)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyOEOIPDHGANCDPX-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.98
Rot. Bonds4

About N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline

N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline (PubChem CID 65022462) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
PubChem CID65022462
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
SMILESCOc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-21-14-7-2-10(8-13(14)16)9-20-12-5-3-11(4-6-12)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyOEOIPDHGANCDPX-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 43235500
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
2-[4-[(3-chloro-4-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 65021363
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
N-[[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768534
N-[(3-chloro-4-methoxyphenyl)methyl]-4-thiophen-3-ylaniline
CID 90917753
ethyl 2-chloro-4-[[4-(trifluoromethyl)anilino]methyl]benzoate
CID 154290404
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108955403
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81143930

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline (CID 65022462) is N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline is COc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is OEOIPDHGANCDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-21-14-7-2-10(8-13(14)16)9-20-12-5-3-11(4-6-12)15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline?
N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline has a molecular weight of 315.72 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 65022462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).