2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine

C17H17Cl2NO — CID 69117252

IUPAC2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine
SMILESNCC[C@@H]1CCc2cccc(-c3cc(Cl)ccc3Cl)c2O1
InChIInChI=1S/C17H17Cl2NO/c18-12-5-7-16(19)15(10-12)14-3-1-2-11-4-6-13(8-9-20)21-17(11)14/h1-3,5,7,10,13H,4,6,8-9,20H2/t13-/m0/s1
InChIKeyNFCGKYOPYWLMNA-ZDUSSCGKSA-N
MW322.24 g/mol
LogP4.70
Rot. Bonds3

About 2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine

2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine (PubChem CID 69117252) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine
PubChem CID69117252
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine
SMILESNCC[C@@H]1CCc2cccc(-c3cc(Cl)ccc3Cl)c2O1
InChIInChI=1S/C17H17Cl2NO/c18-12-5-7-16(19)15(10-12)14-3-1-2-11-4-6-13(8-9-20)21-17(11)14/h1-3,5,7,10,13H,4,6,8-9,20H2/t13-/m0/s1
InChIKeyNFCGKYOPYWLMNA-ZDUSSCGKSA-N
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-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

[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
CID 69117417
[(2S)-8-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
CID 69117647
(2R)-2-(azidomethyl)-8-(2-chlorophenyl)-3,4-dihydro-2H-chromene
CID 86609101
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054
2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
CID 69258568
2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 129364411
1-[5-(2,5-dichlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-methylmethanamine
CID 69257959
[(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane
CID 161344275
[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 59664219
[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69112690
(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol
CID 25010103
2-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]-5-fluorobenzonitrile
CID 15941054

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine?
The IUPAC name of 2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine (CID 69117252) is 2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine?
The canonical SMILES for 2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine is NCC[C@@H]1CCc2cccc(-c3cc(Cl)ccc3Cl)c2O1.
What is the InChIKey of 2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine?
The InChIKey is NFCGKYOPYWLMNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-12-5-7-16(19)15(10-12)14-3-1-2-11-4-6-13(8-9-20)21-17(11)14/h1-3,5,7,10,13H,4,6,8-9,20H2/t13-/m0/s1.
What are the key properties of 2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine?
2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine has a molecular weight of 322.24 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]ethanamine is sourced from PubChem (CID 69117252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).