2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

C17H17Cl2NO — CID 114712236

IUPAC2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccc(Cl)c2Cl)Oc2ccccc21
InChIInChI=1S/C17H17Cl2NO/c1-2-20-14-10-16(12-7-5-8-13(18)17(12)19)21-15-9-4-3-6-11(14)15/h3-9,14,16,20H,2,10H2,1H3
InChIKeyPCNIUNOLLHAPRI-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.17
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712236) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712236
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccc(Cl)c2Cl)Oc2ccccc21
InChIInChI=1S/C17H17Cl2NO/c1-2-20-14-10-16(12-7-5-8-13(18)17(12)19)21-15-9-4-3-6-11(14)15/h3-9,14,16,20H,2,10H2,1H3
InChIKeyPCNIUNOLLHAPRI-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712172
N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712242
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712293
N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712166
N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712233
2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712260
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
N-ethyl-2-(2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712724
N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114712211
7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711830
N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine
CID 114712202
6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711302

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 114712236) is 2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2cccc(Cl)c2Cl)Oc2ccccc21.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PCNIUNOLLHAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-2-20-14-10-16(12-7-5-8-13(18)17(12)19)21-15-9-4-3-6-11(14)15/h3-9,14,16,20H,2,10H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 322.24 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).