1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine

C17H23N3 — CID 115379081

IUPAC1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1-c1cccc(N(C)C)c1)CCCC2N
InChIInChI=1S/C17H23N3/c1-12-10-15-16(18)8-5-9-17(15)20(12)14-7-4-6-13(11-14)19(2)3/h4,6-7,10-11,16H,5,8-9,18H2,1-3H3
InChIKeyUKKYTSIWLUOEBF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.19
Rot. Bonds2

About 1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine

1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 115379081) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
PubChem CID115379081
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1-c1cccc(N(C)C)c1)CCCC2N
InChIInChI=1S/C17H23N3/c1-12-10-15-16(18)8-5-9-17(15)20(12)14-7-4-6-13(11-14)19(2)3/h4,6-7,10-11,16H,5,8-9,18H2,1-3H3
InChIKeyUKKYTSIWLUOEBF-UHFFFAOYSA-N
XLogP3.19
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63466097
2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 62812766
2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63466077
2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 62328356
1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 107605988
1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 107595389
1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 83170015
1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465369
1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 66241810
1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 65053297
2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine
CID 80715831
4-(4-hydroxy-2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzene-1,2-dicarbonitrile
CID 107793188

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (CID 115379081) is 1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine is Cc1cc2c(n1-c1cccc(N(C)C)c1)CCCC2N.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is UKKYTSIWLUOEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-10-15-16(18)8-5-9-17(15)20(12)14-7-4-6-13(11-14)19(2)3/h4,6-7,10-11,16H,5,8-9,18H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 115379081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).