3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine

C14H17N3 — CID 115376107

IUPAC3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2cccc(N)c2)c1
InChIInChI=1S/C14H17N3/c1-17(2)14-8-4-7-13(10-14)16-12-6-3-5-11(15)9-12/h3-10,16H,15H2,1-2H3
InChIKeyRBXQCWFZYMDNNM-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.08
Rot. Bonds3

About 3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine

3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine (PubChem CID 115376107) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
PubChem CID115376107
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2cccc(N)c2)c1
InChIInChI=1S/C14H17N3/c1-17(2)14-8-4-7-13(10-14)16-12-6-3-5-11(15)9-12/h3-10,16H,15H2,1-2H3
InChIKeyRBXQCWFZYMDNNM-UHFFFAOYSA-N
XLogP3.08
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine
CID 113297468
3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
CID 122513645
1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297487
4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 66739762
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
CID 113297464
2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine
CID 115376072
2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine
CID 115376175
2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
CID 115376043
N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine?
The IUPAC name of 3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine (CID 115376107) is 3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine is CN(C)c1cccc(Nc2cccc(N)c2)c1.
What is the InChIKey of 3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine?
The InChIKey is RBXQCWFZYMDNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(2)14-8-4-7-13(10-14)16-12-6-3-5-11(15)9-12/h3-10,16H,15H2,1-2H3.
What are the key properties of 3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine?
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 115376107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).