2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline

C15H13ClF3NO — CID 29285978

IUPAC2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline
SMILESCOc1ccccc1CNc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-21-14-5-3-2-4-10(14)9-20-13-8-11(15(17,18)19)6-7-12(13)16/h2-8,20H,9H2,1H3
InChIKeyMWGDLMUBJWBIAX-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.98
Rot. Bonds4

About 2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline

2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 29285978) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline
PubChem CID29285978
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline
SMILESCOc1ccccc1CNc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-21-14-5-3-2-4-10(14)9-20-13-8-11(15(17,18)19)6-7-12(13)16/h2-8,20H,9H2,1H3
InChIKeyMWGDLMUBJWBIAX-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline (CID 29285978) is 2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline is COc1ccccc1CNc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is MWGDLMUBJWBIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-21-14-5-3-2-4-10(14)9-20-13-8-11(15(17,18)19)6-7-12(13)16/h2-8,20H,9H2,1H3.
What are the key properties of 2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline?
2-chloro-N-[(2-methoxyphenyl)methyl]-5-(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 2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 29285978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).