[4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol

C16H26N2O2 — CID 81142034

IUPAC[4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol
SMILESCN(C)CCNC1(CO)CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H26N2O2/c1-15(2)11-16(12-19,17-9-10-18(3)4)13-7-5-6-8-14(13)20-15/h5-8,17,19H,9-12H2,1-4H3
InChIKeyRKFFDJLURWPGGE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.59
Rot. Bonds5

About [4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol

[4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol (PubChem CID 81142034) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol
PubChem CID81142034
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol
SMILESCN(C)CCNC1(CO)CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H26N2O2/c1-15(2)11-16(12-19,17-9-10-18(3)4)13-7-5-6-8-14(13)20-15/h5-8,17,19H,9-12H2,1-4H3
InChIKeyRKFFDJLURWPGGE-UHFFFAOYSA-N
XLogP1.59
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol?
The IUPAC name of [4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol (CID 81142034) is [4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol.
What is the SMILES notation for [4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol?
The canonical SMILES for [4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol is CN(C)CCNC1(CO)CC(C)(C)Oc2ccccc21.
What is the InChIKey of [4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol?
The InChIKey is RKFFDJLURWPGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2)11-16(12-19,17-9-10-18(3)4)13-7-5-6-8-14(13)20-15/h5-8,17,19H,9-12H2,1-4H3.
What are the key properties of [4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol?
[4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol is sourced from PubChem (CID 81142034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).