4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine

C16H19N3 — CID 28809875

IUPAC4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1ccc(N2CCc3ccccc32)c(N)c1
InChIInChI=1S/C16H19N3/c1-18(2)13-7-8-16(14(17)11-13)19-10-9-12-5-3-4-6-15(12)19/h3-8,11H,9-10,17H2,1-2H3
InChIKeyCPCXYDHYYNLIKP-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.03
Rot. Bonds2

About 4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine

4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine (PubChem CID 28809875) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine
PubChem CID28809875
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1ccc(N2CCc3ccccc32)c(N)c1
InChIInChI=1S/C16H19N3/c1-18(2)13-7-8-16(14(17)11-13)19-10-9-12-5-3-4-6-15(12)19/h3-8,11H,9-10,17H2,1-2H3
InChIKeyCPCXYDHYYNLIKP-UHFFFAOYSA-N
XLogP3.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.03
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

3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline
CID 110454992
2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride
CID 12519123
4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide
CID 63360632
5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 28795713
3-amino-4-(3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989495
2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 54100198
2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline
CID 63591839
4-(2,3-dihydroindol-1-yl)-3-fluorobenzenecarbothioamide
CID 43657805
1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol
CID 43506012
1-(3,5-dimethylphenyl)-2,3-dihydroindole
CID 91512599
6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine
CID 115045696
7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one
CID 43479146

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine (CID 28809875) is 4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine is CN(C)c1ccc(N2CCc3ccccc32)c(N)c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine?
The InChIKey is CPCXYDHYYNLIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-18(2)13-7-8-16(14(17)11-13)19-10-9-12-5-3-4-6-15(12)19/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine?
4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine has a molecular weight of 253.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 28809875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).