4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine

C14H17N3 — CID 19009144

IUPAC4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cc(N)ccc1-c1ccc(N)cc1
InChIInChI=1S/C14H17N3/c1-17(2)14-9-12(16)7-8-13(14)10-3-5-11(15)6-4-10/h3-9H,15-16H2,1-2H3
InChIKeyIKNNYPVFDPOCIZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.58
Rot. Bonds2

About 4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine

4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 19009144) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID19009144
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cc(N)ccc1-c1ccc(N)cc1
InChIInChI=1S/C14H17N3/c1-17(2)14-9-12(16)7-8-13(14)10-3-5-11(15)6-4-10/h3-9H,15-16H2,1-2H3
InChIKeyIKNNYPVFDPOCIZ-UHFFFAOYSA-N
XLogP2.58
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.58
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

4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 166464293
4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride
CID 11579985
N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine
CID 163176393
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline
CID 67533638
3-[4-(dimethylamino)phenyl]-4-fluoroaniline
CID 104781143
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 97301750
4-(4-aminophenyl)-3-(4-ethenylphenyl)aniline
CID 139434275
1-[5-amino-2-(4-aminophenyl)phenyl]ethanone
CID 22756817
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride
CID 131637048
(Z)-3-[4-amino-2-(dimethylamino)phenyl]prop-2-enal;ethane
CID 176996851

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 19009144) is 4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cc(N)ccc1-c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is IKNNYPVFDPOCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(2)14-9-12(16)7-8-13(14)10-3-5-11(15)6-4-10/h3-9H,15-16H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 19009144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).