3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline

C15H15Cl2NO — CID 106862038

IUPAC3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(C)cc2Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-3-4-11(13(16)7-10)9-18-12-5-6-15(19-2)14(17)8-12/h3-8,18H,9H2,1-2H3
InChIKeyKJAQGLRPDJXMQK-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.92
Rot. Bonds4

About 3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline

3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline (PubChem CID 106862038) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline
PubChem CID106862038
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(C)cc2Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-3-4-11(13(16)7-10)9-18-12-5-6-15(19-2)14(17)8-12/h3-8,18H,9H2,1-2H3
InChIKeyKJAQGLRPDJXMQK-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
CID 107677911
4-bromo-3-chloro-N-[(2-chloro-4-methylphenyl)methyl]aniline
CID 107619896
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
CID 742591
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
CID 63451269
3,5-dichloro-N-[(2-chloro-4-methylphenyl)methyl]-4-fluoroaniline
CID 107573899
3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline
CID 106863048
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-nitroaniline
CID 82865332
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 65324051
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzonitrile
CID 102664295
2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid
CID 43736330

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline?
The IUPAC name of 3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline (CID 106862038) is 3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline.
What is the SMILES notation for 3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline?
The canonical SMILES for 3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline is COc1ccc(NCc2ccc(C)cc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline?
The InChIKey is KJAQGLRPDJXMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10-3-4-11(13(16)7-10)9-18-12-5-6-15(19-2)14(17)8-12/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline?
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline has a molecular weight of 296.20 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline is sourced from PubChem (CID 106862038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).