[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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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).