9H-xanthen-1-amine;hydrochloride

C13H12ClNO — CID 175135192

IUPAC9H-xanthen-1-amine;hydrochloride
SMILESCl.Nc1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C13H11NO.ClH/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13;/h1-7H,8,14H2;1H
InChIKeyZPVFBFAPXZHOLU-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.39
Rot. Bonds

About 9H-xanthen-1-amine;hydrochloride

9H-xanthen-1-amine;hydrochloride (PubChem CID 175135192) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 9H-xanthen-1-amine;hydrochloride.

Molecular Properties

Compound Name9H-xanthen-1-amine;hydrochloride
PubChem CID175135192
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name9H-xanthen-1-amine;hydrochloride
SMILESCl.Nc1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C13H11NO.ClH/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13;/h1-7H,8,14H2;1H
InChIKeyZPVFBFAPXZHOLU-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-indazole;9H-xanthen-1-amine
CID 175059055
5-bromo-9H-xanthen-1-amine
CID 121395014
9H-xanthene
CID 7107
1-bromo-9H-xanthene;9H-xanthene
CID 174712211
trimethyl(9H-xanthen-1-yl)silane
CID 175828313
1-naphthalen-1-yl-9H-xanthene
CID 90993396
1,2-dimethyl-9H-xanthene
CID 3016191
biphenylene;9H-xanthene
CID 69049558
sodium;9H-xanthene-1-carboxylic acid;hydroxide
CID 67636026
1-ethenoxy-9H-xanthene
CID 150445419
neodymium(3+);tris(9H-xanthene-1-carboxylate)
CID 173018379
12H-benzo[a]xanthene;hydrate
CID 174249358

Frequently Asked Questions

What is the IUPAC name of 9H-xanthen-1-amine;hydrochloride?
The IUPAC name of 9H-xanthen-1-amine;hydrochloride (CID 175135192) is 9H-xanthen-1-amine;hydrochloride.
What is the SMILES notation for 9H-xanthen-1-amine;hydrochloride?
The canonical SMILES for 9H-xanthen-1-amine;hydrochloride is Cl.Nc1cccc2c1Cc1ccccc1O2.
What is the InChIKey of 9H-xanthen-1-amine;hydrochloride?
The InChIKey is ZPVFBFAPXZHOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.ClH/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13;/h1-7H,8,14H2;1H.
What are the key properties of 9H-xanthen-1-amine;hydrochloride?
9H-xanthen-1-amine;hydrochloride has a molecular weight of 233.70 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-xanthen-1-amine;hydrochloride is sourced from PubChem (CID 175135192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).