2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine

C36H39N3 — CID 155620204

IUPAC2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine
SMILESCC(C)c1cccc(C(C)C)c1Nc1cccc2c1cc(-c1cccc3c1C(Nc1ccccc1)CC3)n2C
InChIInChI=1S/C36H39N3/c1-23(2)27-15-10-16-28(24(3)4)36(27)38-31-18-11-19-33-30(31)22-34(39(33)5)29-17-9-12-25-20-21-32(35(25)29)37-26-13-7-6-8-14-26/h6-19,22-24,32,37-38H,20-21H2,1-5H3
InChIKeyHKDTVJLHYFSCRD-UHFFFAOYSA-N
MW513.73 g/mol
LogP9.94
Rot. Bonds7

About 2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine

2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine (PubChem CID 155620204) has the molecular formula C36H39N3 and a molecular weight of 513.73 g/mol. Its IUPAC name is 2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine.

Molecular Properties

Compound Name2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine
PubChem CID155620204
Molecular FormulaC36H39N3
Molecular Weight513.73 g/mol
Exact Mass513.31
IUPAC Name2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine
SMILESCC(C)c1cccc(C(C)C)c1Nc1cccc2c1cc(-c1cccc3c1C(Nc1ccccc1)CC3)n2C
InChIInChI=1S/C36H39N3/c1-23(2)27-15-10-16-28(24(3)4)36(27)38-31-18-11-19-33-30(31)22-34(39(33)5)29-17-9-12-25-20-21-32(35(25)29)37-26-13-7-6-8-14-26/h6-19,22-24,32,37-38H,20-21H2,1-5H3
InChIKeyHKDTVJLHYFSCRD-UHFFFAOYSA-N
XLogP9.94
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.73
LogP ≤ 59.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175364943
N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine
CID 159879076
2-[8-(cyclohexa-1,5-dien-1-ylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-[2,6-di(propan-2-yl)phenyl]quinolin-8-amine
CID 153340998
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1-methyl-2-[2-(methylamino)phenyl]quinolin-4-one
CID 24767308
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Frequently Asked Questions

What is the IUPAC name of 2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine?
The IUPAC name of 2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine (CID 155620204) is 2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine.
What is the SMILES notation for 2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine?
The canonical SMILES for 2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine is CC(C)c1cccc(C(C)C)c1Nc1cccc2c1cc(-c1cccc3c1C(Nc1ccccc1)CC3)n2C.
What is the InChIKey of 2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine?
The InChIKey is HKDTVJLHYFSCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N3/c1-23(2)27-15-10-16-28(24(3)4)36(27)38-31-18-11-19-33-30(31)22-34(39(33)5)29-17-9-12-25-20-21-32(35(25)29)37-26-13-7-6-8-14-26/h6-19,22-24,32,37-38H,20-21H2,1-5H3.
What are the key properties of 2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine?
2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine has a molecular weight of 513.73 g/mol, XLogP of 9.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine is sourced from PubChem (CID 155620204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).