3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine

C15H18N2O — CID 112647626

IUPAC3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine
SMILESCOc1cccc(N(C)c2cc(C)cc(N)c2)c1
InChIInChI=1S/C15H18N2O/c1-11-7-12(16)9-14(8-11)17(2)13-5-4-6-15(10-13)18-3/h4-10H,16H2,1-3H3
InChIKeyUREUNIRVIPIFAY-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.35
Rot. Bonds3

About 3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine

3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine (PubChem CID 112647626) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine
PubChem CID112647626
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine
SMILESCOc1cccc(N(C)c2cc(C)cc(N)c2)c1
InChIInChI=1S/C15H18N2O/c1-11-7-12(16)9-14(8-11)17(2)13-5-4-6-15(10-13)18-3/h4-10H,16H2,1-3H3
InChIKeyUREUNIRVIPIFAY-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.35
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

5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 80738542
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534075
N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(3-methylphenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 162104792
3-methoxy-N,N-disilylaniline
CID 149149494
3-N-[4-(3-amino-N-methylanilino)phenyl]-3-N-methylbenzene-1,3-diamine
CID 70215054
3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine
CID 112647630
2-N-(3-methoxyphenyl)-2-N,5-dimethylpyridine-2,4-diamine
CID 83265143
3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine
CID 117040924
2-N-(3-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815811

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine (CID 112647626) is 3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine is COc1cccc(N(C)c2cc(C)cc(N)c2)c1.
What is the InChIKey of 3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine?
The InChIKey is UREUNIRVIPIFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-7-12(16)9-14(8-11)17(2)13-5-4-6-15(10-13)18-3/h4-10H,16H2,1-3H3.
What are the key properties of 3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine?
3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine has a molecular weight of 242.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 112647626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).