4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline

C15H15Cl2NO2 — CID 107265945

IUPAC4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
SMILESCOc1ccc(CNc2ccc(Cl)c(OC)c2)cc1Cl
InChIInChI=1S/C15H15Cl2NO2/c1-19-14-6-3-10(7-13(14)17)9-18-11-4-5-12(16)15(8-11)20-2/h3-8,18H,9H2,1-2H3
InChIKeyGVDAFMXOQKNVPS-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.62
Rot. Bonds5

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

4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline (PubChem CID 107265945) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
PubChem CID107265945
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
SMILESCOc1ccc(CNc2ccc(Cl)c(OC)c2)cc1Cl
InChIInChI=1S/C15H15Cl2NO2/c1-19-14-6-3-10(7-13(14)17)9-18-11-4-5-12(16)15(8-11)20-2/h3-8,18H,9H2,1-2H3
InChIKeyGVDAFMXOQKNVPS-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

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
N-[(3-bromo-4-methylphenyl)methyl]-4-chloro-3-methoxyaniline
CID 107621235
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009
N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 65022462
2-[4-[(3-chloro-4-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 65021363
4-chloro-3-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107621263
methyl 4-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272146
4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
CID 107268066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline?
The IUPAC name of 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline (CID 107265945) is 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline is COc1ccc(CNc2ccc(Cl)c(OC)c2)cc1Cl.
What is the InChIKey of 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline?
The InChIKey is GVDAFMXOQKNVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-19-14-6-3-10(7-13(14)17)9-18-11-4-5-12(16)15(8-11)20-2/h3-8,18H,9H2,1-2H3.
What are the key properties of 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline?
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline 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 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 107265945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).