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

C15H16Cl2N2 — CID 14178169

IUPAC4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline
SMILESCc1cc(Cc2cc(C)c(N)cc2Cl)c(Cl)cc1N
InChIInChI=1S/C15H16Cl2N2/c1-8-3-10(12(16)6-14(8)18)5-11-4-9(2)15(19)7-13(11)17/h3-4,6-7H,5,18-19H2,1-2H3
InChIKeyYVVDVWCUZHSRSG-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.37
Rot. Bonds2

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

4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline (PubChem CID 14178169) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline.

Molecular Properties

Compound Name4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline
PubChem CID14178169
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline
SMILESCc1cc(Cc2cc(C)c(N)cc2Cl)c(Cl)cc1N
InChIInChI=1S/C15H16Cl2N2/c1-8-3-10(12(16)6-14(8)18)5-11-4-9(2)15(19)7-13(11)17/h3-4,6-7H,5,18-19H2,1-2H3
InChIKeyYVVDVWCUZHSRSG-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-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline?
The IUPAC name of 4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline (CID 14178169) is 4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline.
What is the SMILES notation for 4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline?
The canonical SMILES for 4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline is Cc1cc(Cc2cc(C)c(N)cc2Cl)c(Cl)cc1N.
What is the InChIKey of 4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline?
The InChIKey is YVVDVWCUZHSRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-8-3-10(12(16)6-14(8)18)5-11-4-9(2)15(19)7-13(11)17/h3-4,6-7H,5,18-19H2,1-2H3.
What are the key properties of 4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline?
4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-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-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline is sourced from PubChem (CID 14178169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).