3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine

C18H20N2 — CID 58731229

IUPAC3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine
SMILESCc1ccc(C(C)(C)c2c[nH]c3c(N)cccc23)cc1
InChIInChI=1S/C18H20N2/c1-12-7-9-13(10-8-12)18(2,3)15-11-20-17-14(15)5-4-6-16(17)19/h4-11,20H,19H2,1-3H3
InChIKeyKGVILRITLFLMPD-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.38
Rot. Bonds2

About 3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine

3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine (PubChem CID 58731229) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine
PubChem CID58731229
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine
SMILESCc1ccc(C(C)(C)c2c[nH]c3c(N)cccc23)cc1
InChIInChI=1S/C18H20N2/c1-12-7-9-13(10-8-12)18(2,3)15-11-20-17-14(15)5-4-6-16(17)19/h4-11,20H,19H2,1-3H3
InChIKeyKGVILRITLFLMPD-UHFFFAOYSA-N
XLogP4.38
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine?
The IUPAC name of 3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine (CID 58731229) is 3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine.
What is the SMILES notation for 3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine?
The canonical SMILES for 3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine is Cc1ccc(C(C)(C)c2c[nH]c3c(N)cccc23)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine?
The InChIKey is KGVILRITLFLMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-12-7-9-13(10-8-12)18(2,3)15-11-20-17-14(15)5-4-6-16(17)19/h4-11,20H,19H2,1-3H3.
What are the key properties of 3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine?
3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine has a molecular weight of 264.37 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine is sourced from PubChem (CID 58731229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).