1H-indol-4-amine;hydrochloride

C8H9ClN2 — CID 22461572

IUPAC1H-indol-4-amine;hydrochloride
SMILESCl.Nc1cccc2[nH]ccc12
InChIInChI=1S/C8H8N2.ClH/c9-7-2-1-3-8-6(7)4-5-10-8;/h1-5,10H,9H2;1H
InChIKeyRRDMEBTXVSZFJA-UHFFFAOYSA-N
MW168.63 g/mol
LogP2.17
Rot. Bonds

About 1H-indol-4-amine;hydrochloride

1H-indol-4-amine;hydrochloride (PubChem CID 22461572) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 1H-indol-4-amine;hydrochloride.

Molecular Properties

Compound Name1H-indol-4-amine;hydrochloride
PubChem CID22461572
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name1H-indol-4-amine;hydrochloride
SMILESCl.Nc1cccc2[nH]ccc12
InChIInChI=1S/C8H8N2.ClH/c9-7-2-1-3-8-6(7)4-5-10-8;/h1-5,10H,9H2;1H
InChIKeyRRDMEBTXVSZFJA-UHFFFAOYSA-N
XLogP2.17
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-4-ol
CID 102220556
4-fluoro-1H-indol-5-amine;hydrochloride
CID 138393680
N-methyl-1H-indol-4-amine;hydrochloride
CID 174419140
ethane;1H-indol-4-ylmethanamine
CID 144540106
5-amino-2H-isoquinolin-1-one
CID 2072
4-(2-phenylethynyl)-1H-indole
CID 138972827
O-(1H-indol-4-ylmethyl)hydroxylamine
CID 117276139
1H-indol-4-yl(dimethyl)borane
CID 58436931
4-(iodomethyl)-1H-indole
CID 143791617
(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
CID 130708711
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-amine;hydrochloride?
The IUPAC name of 1H-indol-4-amine;hydrochloride (CID 22461572) is 1H-indol-4-amine;hydrochloride.
What is the SMILES notation for 1H-indol-4-amine;hydrochloride?
The canonical SMILES for 1H-indol-4-amine;hydrochloride is Cl.Nc1cccc2[nH]ccc12.
What is the InChIKey of 1H-indol-4-amine;hydrochloride?
The InChIKey is RRDMEBTXVSZFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.ClH/c9-7-2-1-3-8-6(7)4-5-10-8;/h1-5,10H,9H2;1H.
What are the key properties of 1H-indol-4-amine;hydrochloride?
1H-indol-4-amine;hydrochloride has a molecular weight of 168.63 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-amine;hydrochloride is sourced from PubChem (CID 22461572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).