N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline

C15H15Cl2NO2 — CID 742591

IUPACN-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
SMILESCOc1ccc(NCc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C15H15Cl2NO2/c1-19-14-6-5-12(8-15(14)20-2)18-9-10-3-4-11(16)7-13(10)17/h3-8,18H,9H2,1-2H3
InChIKeyDCXCWZMPCAMSBI-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.62
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline

N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline (PubChem CID 742591) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
PubChem CID742591
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
SMILESCOc1ccc(NCc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C15H15Cl2NO2/c1-19-14-6-5-12(8-15(14)20-2)18-9-10-3-4-11(16)7-13(10)17/h3-8,18H,9H2,1-2H3
InChIKeyDCXCWZMPCAMSBI-UHFFFAOYSA-N
XLogP4.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 114841875
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106862038
N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 65315852
N-[(5-chloro-2-fluorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 115761993
3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline
CID 66540125
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline
CID 63454126
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-dimethoxyaniline
CID 115982783
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-3-methoxyaniline
CID 114842580
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline (CID 742591) is N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline is COc1ccc(NCc2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline?
The InChIKey is DCXCWZMPCAMSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-19-14-6-5-12(8-15(14)20-2)18-9-10-3-4-11(16)7-13(10)17/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline?
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline has a molecular weight of 312.20 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline is sourced from PubChem (CID 742591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).