2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine

C17H18ClNO — CID 105085210

IUPAC2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)C1OCCc2ccccc21
InChIInChI=1S/C17H18ClNO/c18-14-7-5-12(6-8-14)11-16(19)17-15-4-2-1-3-13(15)9-10-20-17/h1-8,16-17H,9-11,19H2
InChIKeyXRVCRIGFLAKONM-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.52
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine

2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine (PubChem CID 105085210) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
PubChem CID105085210
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)C1OCCc2ccccc21
InChIInChI=1S/C17H18ClNO/c18-14-7-5-12(6-8-14)11-16(19)17-15-4-2-1-3-13(15)9-10-20-17/h1-8,16-17H,9-11,19H2
InChIKeyXRVCRIGFLAKONM-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine 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

2-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105111247
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109438
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 105090028
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-chlorophenyl)ethanamine
CID 64983999
1-(3,4-dihydro-1H-isochromen-1-yl)-4,4-dimethylpentan-1-amine
CID 105139926
2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105135467
1-(3,4-dihydro-1H-isochromen-1-yl)heptan-1-amine
CID 105125796
2-(2,4-dichlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 105086757
methyl 3-(4-chlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)-3-oxopropanoate
CID 132602979
1-(3,4-dihydro-1H-isochromen-1-yl)-4-ethylsulfonylbutan-1-amine
CID 105152487

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine (CID 105085210) is 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine is NC(Cc1ccc(Cl)cc1)C1OCCc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
The InChIKey is XRVCRIGFLAKONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-14-7-5-12(6-8-14)11-16(19)17-15-4-2-1-3-13(15)9-10-20-17/h1-8,16-17H,9-11,19H2.
What are the key properties of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine has a molecular weight of 287.79 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine is sourced from PubChem (CID 105085210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).