1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride

C15H17ClN2 — CID 2965213

IUPAC1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1c[nH]c2c1ccc1ccccc12.Cl
InChIInChI=1S/C15H16N2.ClH/c1-10(16)8-12-9-17-15-13-5-3-2-4-11(13)6-7-14(12)15;/h2-7,9-10,17H,8,16H2,1H3;1H
InChIKeyHVTXXDLZXZZPDA-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.63
Rot. Bonds2

About 1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride

1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride (PubChem CID 2965213) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride
PubChem CID2965213
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1c[nH]c2c1ccc1ccccc12.Cl
InChIInChI=1S/C15H16N2.ClH/c1-10(16)8-12-9-17-15-13-5-3-2-4-11(13)6-7-14(12)15;/h2-7,9-10,17H,8,16H2,1H3;1H
InChIKeyHVTXXDLZXZZPDA-UHFFFAOYSA-N
XLogP3.63
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride (CID 2965213) is 1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride is CC(N)Cc1c[nH]c2c1ccc1ccccc12.Cl.
What is the InChIKey of 1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride?
The InChIKey is HVTXXDLZXZZPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2.ClH/c1-10(16)8-12-9-17-15-13-5-3-2-4-11(13)6-7-14(12)15;/h2-7,9-10,17H,8,16H2,1H3;1H.
What are the key properties of 1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride?
1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzo[g]indol-3-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 2965213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).