4-(4-chloro-2-methylphenyl)-2-methylaniline

C14H14ClN — CID 172652420

IUPAC4-(4-chloro-2-methylphenyl)-2-methylaniline
SMILESCc1cc(-c2ccc(Cl)cc2C)ccc1N
InChIInChI=1S/C14H14ClN/c1-9-8-12(15)4-5-13(9)11-3-6-14(16)10(2)7-11/h3-8H,16H2,1-2H3
InChIKeyFANYEAMMPUISPK-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.21
Rot. Bonds1

About 4-(4-chloro-2-methylphenyl)-2-methylaniline

4-(4-chloro-2-methylphenyl)-2-methylaniline (PubChem CID 172652420) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)-2-methylaniline.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)-2-methylaniline
PubChem CID172652420
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name4-(4-chloro-2-methylphenyl)-2-methylaniline
SMILESCc1cc(-c2ccc(Cl)cc2C)ccc1N
InChIInChI=1S/C14H14ClN/c1-9-8-12(15)4-5-13(9)11-3-6-14(16)10(2)7-11/h3-8H,16H2,1-2H3
InChIKeyFANYEAMMPUISPK-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.21
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

4-(4-chloro-2-methylphenyl)-2-ethylaniline
CID 172652422
2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
3-(4-chloro-2-methylphenyl)aniline
CID 172652401
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
4-(4-chlorophenyl)-2,5-dimethylaniline
CID 23381822
sodium 4-(4-chloro-2-methylphenyl)phenolate
CID 174930978
4-(4-amino-3-methylphenyl)benzene-1,3-diamine
CID 22061960
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
4-(2-fluoro-5-methylphenyl)-2-methylaniline
CID 61026096
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)-2-methylaniline?
The IUPAC name of 4-(4-chloro-2-methylphenyl)-2-methylaniline (CID 172652420) is 4-(4-chloro-2-methylphenyl)-2-methylaniline.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)-2-methylaniline?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)-2-methylaniline is Cc1cc(-c2ccc(Cl)cc2C)ccc1N.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)-2-methylaniline?
The InChIKey is FANYEAMMPUISPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-9-8-12(15)4-5-13(9)11-3-6-14(16)10(2)7-11/h3-8H,16H2,1-2H3.
What are the key properties of 4-(4-chloro-2-methylphenyl)-2-methylaniline?
4-(4-chloro-2-methylphenyl)-2-methylaniline has a molecular weight of 231.73 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)-2-methylaniline is sourced from PubChem (CID 172652420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).