4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline

C15H16Cl2N2 — CID 22450912

IUPAC4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline
SMILESCc1cc(Cc2cc(C)c(N)c(Cl)c2)cc(Cl)c1N
InChIInChI=1S/C15H16Cl2N2/c1-8-3-10(6-12(16)14(8)18)5-11-4-9(2)15(19)13(17)7-11/h3-4,6-7H,5,18-19H2,1-2H3
InChIKeyQZEOOWZAYKIUPR-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.37
Rot. Bonds2

About 4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline

4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline (PubChem CID 22450912) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline.

Molecular Properties

Compound Name4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline
PubChem CID22450912
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline
SMILESCc1cc(Cc2cc(C)c(N)c(Cl)c2)cc(Cl)c1N
InChIInChI=1S/C15H16Cl2N2/c1-8-3-10(6-12(16)14(8)18)5-11-4-9(2)15(19)13(17)7-11/h3-4,6-7H,5,18-19H2,1-2H3
InChIKeyQZEOOWZAYKIUPR-UHFFFAOYSA-N
XLogP4.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline?
The IUPAC name of 4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline (CID 22450912) is 4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline.
What is the SMILES notation for 4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline?
The canonical SMILES for 4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline is Cc1cc(Cc2cc(C)c(N)c(Cl)c2)cc(Cl)c1N.
What is the InChIKey of 4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline?
The InChIKey is QZEOOWZAYKIUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-8-3-10(6-12(16)14(8)18)5-11-4-9(2)15(19)13(17)7-11/h3-4,6-7H,5,18-19H2,1-2H3.
What are the key properties of 4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline?
4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline has a molecular weight of 295.21 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-chloro-5-methylphenyl)methyl]-2-chloro-6-methylaniline is sourced from PubChem (CID 22450912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).