1H-indol-2-amine;propylbenzene

Name: 1H-indol-2-amine;propylbenzene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₀N₂ — CID 158971593

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1H-indol-2-amine;propylbenzene

SMILESCCCc1ccccc1.Nc1cc2ccccc2[nH]1

InChIInChI=1S/C9H12.C8H8N2/c1-2-6-9-7-4-3-5-8-9;9-8-5-6-3-1-2-4-7(6)10-8/h3-5,7-8H,2,6H2,1H3;1-5,10H,9H2

InChIKeyJNWUKJBHPIZVHJ-UHFFFAOYSA-N

MW252.36 g/mol

LogP4.39

Rot. Bonds2

About 1H-indol-2-amine;propylbenzene

1H-indol-2-amine;propylbenzene (PubChem CID 158971593) has the molecular formula C₁₇H₂₀N₂ and a molecular weight of 252.36 g/mol. Its IUPAC name is 1H-indol-2-amine;propylbenzene.

Molecular Properties

Compound Name	1H-indol-2-amine;propylbenzene
PubChem CID	158971593
Molecular Formula	C₁₇H₂₀N₂
Molecular Weight	252.36 g/mol
Exact Mass	252.16
IUPAC Name	1H-indol-2-amine;propylbenzene
SMILES	CCCc1ccccc1.Nc1cc2ccccc2[nH]1
InChI	InChI=1S/C9H12.C8H8N2/c1-2-6-9-7-4-3-5-8-9;9-8-5-6-3-1-2-4-7(6)10-8/h3-5,7-8H,2,6H2,1H3;1-5,10H,9H2
InChIKey	JNWUKJBHPIZVHJ-UHFFFAOYSA-N
XLogP	4.39
TPSA	41.81 Å²
H-Bond Donors	2
H-Bond Acceptors	1
Rotatable Bonds	2
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.36
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-amine;propylbenzene?

The IUPAC name of 1H-indol-2-amine;propylbenzene (CID 158971593) is 1H-indol-2-amine;propylbenzene.

What is the SMILES notation for 1H-indol-2-amine;propylbenzene?

The canonical SMILES for 1H-indol-2-amine;propylbenzene is CCCc1ccccc1.Nc1cc2ccccc2[nH]1.

What is the InChIKey of 1H-indol-2-amine;propylbenzene?

The InChIKey is JNWUKJBHPIZVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H8N2/c1-2-6-9-7-4-3-5-8-9;9-8-5-6-3-1-2-4-7(6)10-8/h3-5,7-8H,2,6H2,1H3;1-5,10H,9H2.

What are the key properties of 1H-indol-2-amine;propylbenzene?

1H-indol-2-amine;propylbenzene has a molecular weight of 252.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-2-amine;propylbenzene is sourced from PubChem (CID 158971593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 158971593 — identifiers, structure, computed properties (public domain)

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