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

C19H23NO — CID 114712172

IUPAC2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccc(C)c2C)Oc2ccccc21
InChIInChI=1S/C19H23NO/c1-4-20-17-12-19(15-10-7-8-13(2)14(15)3)21-18-11-6-5-9-16(17)18/h5-11,17,19-20H,4,12H2,1-3H3
InChIKeyBBBCTZJNWLKRTR-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.48
Rot. Bonds3

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

2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712172) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712172
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccc(C)c2C)Oc2ccccc21
InChIInChI=1S/C19H23NO/c1-4-20-17-12-19(15-10-7-8-13(2)14(15)3)21-18-11-6-5-9-16(17)18/h5-11,17,19-20H,4,12H2,1-3H3
InChIKeyBBBCTZJNWLKRTR-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712236
N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712242
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950152
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
N-ethyl-2-(2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712724
2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712260
N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine
CID 114712202
N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114712211
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 114712172) is 2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2cccc(C)c2C)Oc2ccccc21.
What is the InChIKey of 2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BBBCTZJNWLKRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-20-17-12-19(15-10-7-8-13(2)14(15)3)21-18-11-6-5-9-16(17)18/h5-11,17,19-20H,4,12H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).