2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline

C16H17Cl2NO — CID 104726123

IUPAC2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
SMILESCOc1ccc(C)cc1CNc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-10-4-5-16(20-3)12(6-10)9-19-15-8-13(17)11(2)7-14(15)18/h4-8,19H,9H2,1-3H3
InChIKeyINYQVJHXYDCDIV-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.23
Rot. Bonds4

About 2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline

2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline (PubChem CID 104726123) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
PubChem CID104726123
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
SMILESCOc1ccc(C)cc1CNc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-10-4-5-16(20-3)12(6-10)9-19-15-8-13(17)11(2)7-14(15)18/h4-8,19H,9H2,1-3H3
InChIKeyINYQVJHXYDCDIV-UHFFFAOYSA-N
XLogP5.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
CID 104726382
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 83167191
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082
2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 103478108
N-[(5-bromo-2-methoxyphenyl)methyl]-2,4,5-trichloroaniline
CID 43324015
5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol
CID 104726290
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
CID 107677911
2-[(5-chloro-2,4-dimethoxyanilino)methyl]-4-methylphenol
CID 63323505
2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline
CID 102876635
2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
CID 55192756
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline (CID 104726123) is 2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline is COc1ccc(C)cc1CNc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline?
The InChIKey is INYQVJHXYDCDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-4-5-16(20-3)12(6-10)9-19-15-8-13(17)11(2)7-14(15)18/h4-8,19H,9H2,1-3H3.
What are the key properties of 2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline?
2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline has a molecular weight of 310.22 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 104726123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).