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

C18H21NO2 — CID 114712233

IUPACN-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(OC)cc2)Oc2ccccc21
InChIInChI=1S/C18H21NO2/c1-3-19-16-12-18(13-8-10-14(20-2)11-9-13)21-17-7-5-4-6-15(16)17/h4-11,16,18-19H,3,12H2,1-2H3
InChIKeyIEOVXDYNCJUPGA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.87
Rot. Bonds4

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

N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712233) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712233
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(OC)cc2)Oc2ccccc21
InChIInChI=1S/C18H21NO2/c1-3-19-16-12-18(13-8-10-14(20-2)11-9-13)21-17-7-5-4-6-15(16)17/h4-11,16,18-19H,3,12H2,1-2H3
InChIKeyIEOVXDYNCJUPGA-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
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
2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712172
N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712166
N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710968
N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711040
(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145
2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712260
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 114712233) is N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2ccc(OC)cc2)Oc2ccccc21.
What is the InChIKey of N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IEOVXDYNCJUPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19-16-12-18(13-8-10-14(20-2)11-9-13)21-17-7-5-4-6-15(16)17/h4-11,16,18-19H,3,12H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).