2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine

C16H20N2O — CID 115550202

IUPAC2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
SMILESCOc1ccc(CN(C)c2c(C)cccc2N)cc1
InChIInChI=1S/C16H20N2O/c1-12-5-4-6-15(17)16(12)18(2)11-13-7-9-14(19-3)10-8-13/h4-10H,11,17H2,1-3H3
InChIKeyDNCJDIPDGFPARL-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds4

About 2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine

2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine (PubChem CID 115550202) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
PubChem CID115550202
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
SMILESCOc1ccc(CN(C)c2c(C)cccc2N)cc1
InChIInChI=1S/C16H20N2O/c1-12-5-4-6-15(17)16(12)18(2)11-13-7-9-14(19-3)10-8-13/h4-10H,11,17H2,1-3H3
InChIKeyDNCJDIPDGFPARL-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 143173593
2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine
CID 106890065
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62003414
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61108978
2-N-(1,3-benzoxazol-6-ylmethyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126099
2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 113333707
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
2-amino-3-[(4-methoxyphenyl)methyl-methylamino]benzonitrile
CID 104716427
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80794484

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine (CID 115550202) is 2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine is COc1ccc(CN(C)c2c(C)cccc2N)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine?
The InChIKey is DNCJDIPDGFPARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-5-4-6-15(17)16(12)18(2)11-13-7-9-14(19-3)10-8-13/h4-10H,11,17H2,1-3H3.
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine?
2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115550202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).