7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C9H10Cl3NO — CID 86775388

IUPAC7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.NC1CCOc2c1ccc(Cl)c2Cl
InChIInChI=1S/C9H9Cl2NO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H
InChIKeyVYJZOAGPDFHSJL-UHFFFAOYSA-N
MW254.54 g/mol
LogP3.20
Rot. Bonds

About 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 86775388) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID86775388
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC Name7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.NC1CCOc2c1ccc(Cl)c2Cl
InChIInChI=1S/C9H9Cl2NO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H
InChIKeyVYJZOAGPDFHSJL-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,8-dichloro-3,4-dihydro-2H-1-benzopyran-4-amine
CID 16244421
5-Amino-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride
CID 37754
7-Chloro-3,4-dihydro-2H-1-benzopyran-3-amine--hydrogen chloride (1/1)
CID 3041602
8,9-Dichloro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43155019
7-Chloro-3,4-dihydro-2H-1-benzopyran-3-amine
CID 3041603
(R)-6-Chlorochroman-4-amine
CID 42220764
6,7-Dichloro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 50988686
6-Chlorochroman-4-amine hydrochloride
CID 52988847
7,8-Dichlorospiro[chromene-2,4'-piperidine]
CID 172447781
(4R)-7-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine
CID 68594798
(R)-6,8-Dichlorochroman-4-amine
CID 42220780
8-chloro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
CID 45792206

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 86775388) is 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is Cl.NC1CCOc2c1ccc(Cl)c2Cl.
What is the InChIKey of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is VYJZOAGPDFHSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H.
What are the key properties of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 254.54 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 86775388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).