1H-indol-3-ylmethanamine;hydrochloride

C9H11ClN2 — CID 52986033

IUPAC1H-indol-3-ylmethanamine;hydrochloride
SMILESCl.NCc1c[nH]c2ccccc12
InChIInChI=1S/C9H10N2.ClH/c10-5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5,10H2;1H
InChIKeyGOWCWBKBWLNFCM-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.05
Rot. Bonds1

About 1H-indol-3-ylmethanamine;hydrochloride

1H-indol-3-ylmethanamine;hydrochloride (PubChem CID 52986033) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 1H-indol-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1H-indol-3-ylmethanamine;hydrochloride
PubChem CID52986033
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name1H-indol-3-ylmethanamine;hydrochloride
SMILESCl.NCc1c[nH]c2ccccc12
InChIInChI=1S/C9H10N2.ClH/c10-5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5,10H2;1H
InChIKeyGOWCWBKBWLNFCM-UHFFFAOYSA-N
XLogP2.05
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-ylmethanamine;hydrochloride?
The IUPAC name of 1H-indol-3-ylmethanamine;hydrochloride (CID 52986033) is 1H-indol-3-ylmethanamine;hydrochloride.
What is the SMILES notation for 1H-indol-3-ylmethanamine;hydrochloride?
The canonical SMILES for 1H-indol-3-ylmethanamine;hydrochloride is Cl.NCc1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-ylmethanamine;hydrochloride?
The InChIKey is GOWCWBKBWLNFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.ClH/c10-5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5,10H2;1H.
What are the key properties of 1H-indol-3-ylmethanamine;hydrochloride?
1H-indol-3-ylmethanamine;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 52986033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).