1H-indol-2-amine;propylbenzene

C17H20N2 — CID 158971593

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 Name1H-indol-2-amine;propylbenzene
PubChem CID158971593
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1H-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
XLogP4.39
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1H-indol-2-amine;2-methylprop-2-enoic acid
CID 159290995
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
potassium;hydride;propylbenzene
CID 174749122
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
lithium;ethyne;propylbenzene
CID 174833014
butylbenzene;propylbenzene
CID 142022125
ethane;ethylbenzene;propylbenzene
CID 153343160
carbanide;ethane;lanthanum;propane;propylbenzene
CID 161064679
benzene;propylbenzene;toluene
CID 142060228
1-bromopropane;propylbenzene
CID 158382353

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).