N-[(4-chlorophenyl)methyl]-3-methylaniline

C14H14ClN — CID 15533172

IUPACN-[(4-chlorophenyl)methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H14ClN/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12/h2-9,16H,10H2,1H3
InChIKeyDYFARMSYQPTVPI-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.26
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-3-methylaniline

N-[(4-chlorophenyl)methyl]-3-methylaniline (PubChem CID 15533172) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-methylaniline
PubChem CID15533172
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H14ClN/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12/h2-9,16H,10H2,1H3
InChIKeyDYFARMSYQPTVPI-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[(4-propylphenyl)methyl]aniline
CID 94687555
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437428
4-[(3-methylanilino)methyl]benzamide
CID 28564307
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline
CID 65125666
3-methyl-N-[[4-[6-(4-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methyl]aniline
CID 53328328
N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline
CID 43435845
N-hydroxy-4-[(3-methylanilino)methyl]benzamide
CID 170564878
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-methylaniline
CID 126124145
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126124166
N-[1-(4-chlorophenyl)propan-2-yl]-3-methylaniline
CID 114081193
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126127595

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-methylaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-methylaniline (CID 15533172) is N-[(4-chlorophenyl)methyl]-3-methylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-methylaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-methylaniline is Cc1cccc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-methylaniline?
The InChIKey is DYFARMSYQPTVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-methylaniline?
N-[(4-chlorophenyl)methyl]-3-methylaniline has a molecular weight of 231.73 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-methylaniline is sourced from PubChem (CID 15533172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).