2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol

C14H21NO2 — CID 104524932

IUPAC2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
SMILESCC(N)C1(CCO)c2ccccc2OCC1C
InChIInChI=1S/C14H21NO2/c1-10-9-17-13-6-4-3-5-12(13)14(10,7-8-16)11(2)15/h3-6,10-11,16H,7-9,15H2,1-2H3
InChIKeyTWBJUNLOQXZVDJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.68
Rot. Bonds3

About 2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol

2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol (PubChem CID 104524932) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
PubChem CID104524932
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
SMILESCC(N)C1(CCO)c2ccccc2OCC1C
InChIInChI=1S/C14H21NO2/c1-10-9-17-13-6-4-3-5-12(13)14(10,7-8-16)11(2)15/h3-6,10-11,16H,7-9,15H2,1-2H3
InChIKeyTWBJUNLOQXZVDJ-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 113422733
4-hydroxy-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524636
4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524420
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
[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524708
ethyl 3-methyl-4-(2-methylpropylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524499
3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
CID 104524950
[4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524707
methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 113422738
ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 104524790
4-[formyl(propan-2-yl)amino]-3-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 104524522

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol?
The IUPAC name of 2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol (CID 104524932) is 2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol.
What is the SMILES notation for 2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol?
The canonical SMILES for 2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol is CC(N)C1(CCO)c2ccccc2OCC1C.
What is the InChIKey of 2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol?
The InChIKey is TWBJUNLOQXZVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-9-17-13-6-4-3-5-12(13)14(10,7-8-16)11(2)15/h3-6,10-11,16H,7-9,15H2,1-2H3.
What are the key properties of 2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol?
2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol is sourced from PubChem (CID 104524932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).