N-[(4-chlorophenyl)methyl]-N-methylaniline

C14H14ClN — CID 14008645

IUPACN-[(4-chlorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClN/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(15)10-8-12/h2-10H,11H2,1H3
InChIKeyPRCZDSXLFJMOAT-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.98
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N-methylaniline

N-[(4-chlorophenyl)methyl]-N-methylaniline (PubChem CID 14008645) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methylaniline
PubChem CID14008645
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClN/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(15)10-8-12/h2-10H,11H2,1H3
InChIKeyPRCZDSXLFJMOAT-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methylaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methylaniline (CID 14008645) is N-[(4-chlorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methylaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methylaniline is CN(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methylaniline?
The InChIKey is PRCZDSXLFJMOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(15)10-8-12/h2-10H,11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methylaniline?
N-[(4-chlorophenyl)methyl]-N-methylaniline has a molecular weight of 231.73 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 14008645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).