7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

C18H20ClNO — CID 122183575

IUPAC7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCc1ccc(-c2cccc3c2CC(=O)C(N)CC3)cc1.Cl
InChIInChI=1S/C18H19NO.ClH/c1-12-5-7-14(8-6-12)15-4-2-3-13-9-10-17(19)18(20)11-16(13)15;/h2-8,17H,9-11,19H2,1H3;1H
InChIKeyFORLYQINHVHXIA-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.47
Rot. Bonds1

About 7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (PubChem CID 122183575) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.

Molecular Properties

Compound Name7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
PubChem CID122183575
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCc1ccc(-c2cccc3c2CC(=O)C(N)CC3)cc1.Cl
InChIInChI=1S/C18H19NO.ClH/c1-12-5-7-14(8-6-12)15-4-2-3-13-9-10-17(19)18(20)11-16(13)15;/h2-8,17H,9-11,19H2,1H3;1H
InChIKeyFORLYQINHVHXIA-UHFFFAOYSA-N
XLogP3.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The IUPAC name of 7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (CID 122183575) is 7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.
What is the SMILES notation for 7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The canonical SMILES for 7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is Cc1ccc(-c2cccc3c2CC(=O)C(N)CC3)cc1.Cl.
What is the InChIKey of 7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The InChIKey is FORLYQINHVHXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.ClH/c1-12-5-7-14(8-6-12)15-4-2-3-13-9-10-17(19)18(20)11-16(13)15;/h2-8,17H,9-11,19H2,1H3;1H.
What are the key properties of 7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is sourced from PubChem (CID 122183575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).