4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine

C15H19N3O — CID 66739762

IUPAC4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2cccc(N(C)C)c2)ccc1N
InChIInChI=1S/C15H19N3O/c1-18(2)13-6-4-5-11(9-13)17-12-7-8-14(16)15(10-12)19-3/h4-10,17H,16H2,1-3H3
InChIKeyPDBUPYVEKBMMLI-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.09
Rot. Bonds4

About 4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine

4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine (PubChem CID 66739762) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
PubChem CID66739762
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2cccc(N(C)C)c2)ccc1N
InChIInChI=1S/C15H19N3O/c1-18(2)13-6-4-5-11(9-13)17-12-7-8-14(16)15(10-12)19-3/h4-10,17H,16H2,1-3H3
InChIKeyPDBUPYVEKBMMLI-UHFFFAOYSA-N
XLogP3.09
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 63669994
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
CID 115376043
3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide
CID 115375762
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine
CID 113297468
methyl 4-amino-3-[3-(dimethylamino)anilino]benzoate
CID 82776085
2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 63670108
3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
CID 113297464
4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002161
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine (CID 66739762) is 4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine is COc1cc(Nc2cccc(N(C)C)c2)ccc1N.
What is the InChIKey of 4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine?
The InChIKey is PDBUPYVEKBMMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)13-6-4-5-11(9-13)17-12-7-8-14(16)15(10-12)19-3/h4-10,17H,16H2,1-3H3.
What are the key properties of 4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine?
4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 66739762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).