N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride

C18H22ClNO — CID 23311337

IUPACN-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride
SMILESCNCCCC1(c2ccccc2)COc2ccccc21.Cl
InChIInChI=1S/C18H21NO.ClH/c1-19-13-7-12-18(15-8-3-2-4-9-15)14-20-17-11-6-5-10-16(17)18;/h2-6,8-11,19H,7,12-14H2,1H3;1H
InChIKeyBAYBMUOOOHMNEJ-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.79
Rot. Bonds5

About N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride

N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride (PubChem CID 23311337) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride
PubChem CID23311337
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride
SMILESCNCCCC1(c2ccccc2)COc2ccccc21.Cl
InChIInChI=1S/C18H21NO.ClH/c1-19-13-7-12-18(15-8-3-2-4-9-15)14-20-17-11-6-5-10-16(17)18;/h2-6,8-11,19H,7,12-14H2,1H3;1H
InChIKeyBAYBMUOOOHMNEJ-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride (CID 23311337) is N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride is CNCCCC1(c2ccccc2)COc2ccccc21.Cl.
What is the InChIKey of N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride?
The InChIKey is BAYBMUOOOHMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c1-19-13-7-12-18(15-8-3-2-4-9-15)14-20-17-11-6-5-10-16(17)18;/h2-6,8-11,19H,7,12-14H2,1H3;1H.
What are the key properties of N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride?
N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 23311337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).