2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine

C15H16Cl2N2O — CID 106890065

IUPAC2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine
SMILESCOc1ccc(CN(C)c2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C15H16Cl2N2O/c1-19(9-10-3-5-12(20-2)6-4-10)15-13(16)7-11(18)8-14(15)17/h3-8H,9,18H2,1-2H3
InChIKeyUCLKZZMPNBQEEG-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.22
Rot. Bonds4

About 2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine

2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine (PubChem CID 106890065) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine
PubChem CID106890065
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine
SMILESCOc1ccc(CN(C)c2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C15H16Cl2N2O/c1-19(9-10-3-5-12(20-2)6-4-10)15-13(16)7-11(18)8-14(15)17/h3-8H,9,18H2,1-2H3
InChIKeyUCLKZZMPNBQEEG-UHFFFAOYSA-N
XLogP4.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549
2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550202
methyl 5-amino-3-chloro-2-[methyl(pyridin-4-ylmethyl)amino]benzoate
CID 107194225
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline
CID 39371673
3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine
CID 80726366
4-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 63092139
2-(bromomethyl)-3-chloro-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 107081024
5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 114844036
N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline
CID 39396844
3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 155123145

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine (CID 106890065) is 2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine is COc1ccc(CN(C)c2c(Cl)cc(N)cc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine?
The InChIKey is UCLKZZMPNBQEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-19(9-10-3-5-12(20-2)6-4-10)15-13(16)7-11(18)8-14(15)17/h3-8H,9,18H2,1-2H3.
What are the key properties of 2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine?
2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine has a molecular weight of 311.21 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 106890065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).