2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol

C14H21NO2 — CID 113422733

IUPAC2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
SMILESCCNC1(CCO)c2ccccc2OCC1C
InChIInChI=1S/C14H21NO2/c1-3-15-14(8-9-16)11(2)10-17-13-7-5-4-6-12(13)14/h4-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyLKQMXWVJWDMVSB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds4

About 2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol

2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol (PubChem CID 113422733) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
PubChem CID113422733
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
SMILESCCNC1(CCO)c2ccccc2OCC1C
InChIInChI=1S/C14H21NO2/c1-3-15-14(8-9-16)11(2)10-17-13-7-5-4-6-12(13)14/h4-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyLKQMXWVJWDMVSB-UHFFFAOYSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methyl-4-(propylamino)-2,3-dihydrochromen-4-yl]acetic acid
CID 104524864
[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524708
[4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524707
2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 104524932
[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol
CID 61048933
ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524486
methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 113422738
4-hydroxy-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524636
4-(3-hydroxypropoxy)-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 103376405
methyl 3-methyl-4-(2-methylpropylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524498
3-methyl-4-(prop-2-ynylamino)-2,3-dihydrochromene-4-carbonitrile
CID 104524469
ethyl 3-methyl-4-(2-methylpropylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524499

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol?
The IUPAC name of 2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol (CID 113422733) is 2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol.
What is the SMILES notation for 2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol?
The canonical SMILES for 2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol is CCNC1(CCO)c2ccccc2OCC1C.
What is the InChIKey of 2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol?
The InChIKey is LKQMXWVJWDMVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-15-14(8-9-16)11(2)10-17-13-7-5-4-6-12(13)14/h4-7,11,15-16H,3,8-10H2,1-2H3.
What are the key properties of 2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol?
2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol is sourced from PubChem (CID 113422733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).