2-[(4-chlorophenyl)methyl]-3-methylaniline

C14H14ClN — CID 70469771

IUPAC2-[(4-chlorophenyl)methyl]-3-methylaniline
SMILESCc1cccc(N)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN/c1-10-3-2-4-14(16)13(10)9-11-5-7-12(15)8-6-11/h2-8H,9,16H2,1H3
InChIKeyQCJPFQJJQFHTIL-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.82
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-3-methylaniline

2-[(4-chlorophenyl)methyl]-3-methylaniline (PubChem CID 70469771) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-3-methylaniline.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-3-methylaniline
PubChem CID70469771
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name2-[(4-chlorophenyl)methyl]-3-methylaniline
SMILESCc1cccc(N)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN/c1-10-3-2-4-14(16)13(10)9-11-5-7-12(15)8-6-11/h2-8H,9,16H2,1H3
InChIKeyQCJPFQJJQFHTIL-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methyl]aniline
CID 18412139
2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
CID 24763942
2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene
CID 158519534
2-butyl-3-(4-chlorophenyl)aniline
CID 123586826
2-[[dichloro(methyl)silyl]methyl]-3-methylaniline
CID 141420521
3-methyl-2-(2-methylpropyl)aniline
CID 21420803
(2-amino-6-methylphenyl)methanesulfinate
CID 89243020
4-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 19812010
2-butyl-3-chloroaniline
CID 14012386
3-[(4-chlorophenyl)methylsulfonyl]-2-methylaniline
CID 81190970
3-bromo-2-[(4-chlorophenyl)methylsulfonylmethyl]aniline
CID 114790690
2-[(4-chlorophenyl)methylsulfinyl]-6-methylaniline
CID 81186937

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-3-methylaniline?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-3-methylaniline (CID 70469771) is 2-[(4-chlorophenyl)methyl]-3-methylaniline.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-3-methylaniline?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-3-methylaniline is Cc1cccc(N)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-3-methylaniline?
The InChIKey is QCJPFQJJQFHTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-10-3-2-4-14(16)13(10)9-11-5-7-12(15)8-6-11/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-3-methylaniline?
2-[(4-chlorophenyl)methyl]-3-methylaniline has a molecular weight of 231.73 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-3-methylaniline is sourced from PubChem (CID 70469771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).