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

C12H17NO2 — CID 61048933

IUPAC[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol
SMILESCCNC1(CO)CCOc2ccccc21
InChIInChI=1S/C12H17NO2/c1-2-13-12(9-14)7-8-15-11-6-4-3-5-10(11)12/h3-6,13-14H,2,7-9H2,1H3
InChIKeyRBAWBMIDLOEISE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.27
Rot. Bonds3

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

[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol (PubChem CID 61048933) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol.

Molecular Properties

Compound Name[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol
PubChem CID61048933
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol
SMILESCCNC1(CO)CCOc2ccccc21
InChIInChI=1S/C12H17NO2/c1-2-13-12(9-14)7-8-15-11-6-4-3-5-10(11)12/h3-6,13-14H,2,7-9H2,1H3
InChIKeyRBAWBMIDLOEISE-UHFFFAOYSA-N
XLogP1.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol
CID 61050687
[4-(2-chloroanilino)-2,3-dihydrochromen-4-yl]methanol
CID 61047730
[4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol
CID 61049905
[4-(3-fluoro-5-methylanilino)-2,3-dihydrochromen-4-yl]methanol
CID 79046380
[(4S)-4-[(3-chloro-4-prop-2-enoxyphenyl)methylamino]-2,3-dihydrochromen-4-yl]methanol
CID 100710896
[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydrochromen-4-yl]methanol
CID 154864070
ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate
CID 65235737
2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 100710526
(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid
CID 51887898
ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate
CID 54918588
2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 113422733
4-(3-methylbutyl)-2,3-dihydrochromene-4-carboxylic acid
CID 65408891

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol?
The IUPAC name of [4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol (CID 61048933) is [4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol.
What is the SMILES notation for [4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol?
The canonical SMILES for [4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol is CCNC1(CO)CCOc2ccccc21.
What is the InChIKey of [4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol?
The InChIKey is RBAWBMIDLOEISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-13-12(9-14)7-8-15-11-6-4-3-5-10(11)12/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of [4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol?
[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol has a molecular weight of 207.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol is sourced from PubChem (CID 61048933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).