5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride

C9H10Cl3NO — CID 134205941

IUPAC5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
SMILESCl.NC1COCc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C9H9Cl2NO.ClH/c10-6-2-1-5-3-13-4-7(12)8(5)9(6)11;/h1-2,7H,3-4,12H2;1H
InChIKeyFMFUDXZENBYNOL-UHFFFAOYSA-N
MW254.54 g/mol
LogP2.95
Rot. Bonds

About 5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride

5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride (PubChem CID 134205941) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is 5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride.

Molecular Properties

Compound Name5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
PubChem CID134205941
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC Name5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
SMILESCl.NC1COCc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C9H9Cl2NO.ClH/c10-6-2-1-5-3-13-4-7(12)8(5)9(6)11;/h1-2,7H,3-4,12H2;1H
InChIKeyFMFUDXZENBYNOL-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-dichloro-3,4-dihydro-1H-isochromen-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

5-chloro-3,4-dihydro-1H-isochromen-4-amine
CID 57301129
5-chloro-4,6-dimethyl-3,4-dihydro-1H-isochromene
CID 134221136
(4S)-4-amino-3,4-dihydro-1H-isochromene-5-carbonitrile
CID 130713754
6,9-dichloro-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 62737289
4,5-dichloro-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 134818625
5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 71742120
5-chloro-1,3-dihydro-2-benzofuran-4-ol
CID 122620490
(4S)-6-ethynyl-3,4-dihydro-1H-isochromen-4-amine
CID 130713787
(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
CID 171192935
8,9-dichloro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine;hydrochloride
CID 155821717
(3R)-3-amino-4-chloro-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 131101529
N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide
CID 131380829

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
The IUPAC name of 5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride (CID 134205941) is 5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride.
What is the SMILES notation for 5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
The canonical SMILES for 5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride is Cl.NC1COCc2ccc(Cl)c(Cl)c21.
What is the InChIKey of 5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
The InChIKey is FMFUDXZENBYNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO.ClH/c10-6-2-1-5-3-13-4-7(12)8(5)9(6)11;/h1-2,7H,3-4,12H2;1H.
What are the key properties of 5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride has a molecular weight of 254.54 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine;hydrochloride is sourced from PubChem (CID 134205941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).