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

C14H14ClNO — CID 4610770

IUPAC4-chloro-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9,16H,10H2,1H3
InChIKeyHJXWKUCABPCBMP-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.96
Rot. Bonds4

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

4-chloro-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 4610770) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID4610770
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name4-chloro-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9,16H,10H2,1H3
InChIKeyHJXWKUCABPCBMP-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(4-methoxyphenyl)methyl]aniline (CID 4610770) is 4-chloro-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is HJXWKUCABPCBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9,16H,10H2,1H3.
What are the key properties of 4-chloro-N-[(4-methoxyphenyl)methyl]aniline?
4-chloro-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 247.73 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 4610770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).