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

C15H13ClF3NO — CID 107620989

IUPAC4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCOc1cc(NCc2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-21-14-8-12(5-6-13(14)16)20-9-10-3-2-4-11(7-10)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyVLSAMXRGHDXSAO-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.98
Rot. Bonds4

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

4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 107620989) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID107620989
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCOc1cc(NCc2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-21-14-8-12(5-6-13(14)16)20-9-10-3-2-4-11(7-10)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyVLSAMXRGHDXSAO-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

4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 43758496
N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 65022462
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 66252816
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 791955
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737
N-[(3-bromo-4-methylphenyl)methyl]-4-chloro-3-methoxyaniline
CID 107621235

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 107620989) is 4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is COc1cc(NCc2cccc(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is VLSAMXRGHDXSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-21-14-8-12(5-6-13(14)16)20-9-10-3-2-4-11(7-10)15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of 4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]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 4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 107620989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).