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

C15H15Cl2NO2 — CID 28537972

IUPACN-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline
SMILESCOc1ccc(NCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C15H15Cl2NO2/c1-19-11-4-6-14(15(8-11)20-2)18-9-10-3-5-12(16)13(17)7-10/h3-8,18H,9H2,1-2H3
InChIKeyADULLFSVPIUNOQ-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.62
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline (PubChem CID 28537972) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline
PubChem CID28537972
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline
SMILESCOc1ccc(NCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C15H15Cl2NO2/c1-19-11-4-6-14(15(8-11)20-2)18-9-10-3-5-12(16)13(17)7-10/h3-8,18H,9H2,1-2H3
InChIKeyADULLFSVPIUNOQ-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

2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
4-[(3,4-dichlorophenyl)methylamino]-3-methoxybenzonitrile
CID 104848048
N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 62122449
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 106816718
N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
CID 115212369
2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
CID 29274459
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
2,4,5-trichloro-N-[(3-methoxyphenyl)methyl]aniline
CID 29266547

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline (CID 28537972) is N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline is COc1ccc(NCc2ccc(Cl)c(Cl)c2)c(OC)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline?
The InChIKey is ADULLFSVPIUNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-19-11-4-6-14(15(8-11)20-2)18-9-10-3-5-12(16)13(17)7-10/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline?
N-[(3,4-dichlorophenyl)methyl]-2,4-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-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline is sourced from PubChem (CID 28537972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).