[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol

C14H21NO2 — CID 115229672

IUPAC[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
SMILESCC(C)(CNCO)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H21NO2/c1-14(2,9-15-10-16)12-5-6-13-11(8-12)4-3-7-17-13/h5-6,8,15-16H,3-4,7,9-10H2,1-2H3
InChIKeyRQBBLQVTCOILKU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.83
Rot. Bonds4

About [[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol

[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol (PubChem CID 115229672) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol.

Molecular Properties

Compound Name[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
PubChem CID115229672
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
SMILESCC(C)(CNCO)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H21NO2/c1-14(2,9-15-10-16)12-5-6-13-11(8-12)4-3-7-17-13/h5-6,8,15-16H,3-4,7,9-10H2,1-2H3
InChIKeyRQBBLQVTCOILKU-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]-N-methylmethanediamine
CID 115227515
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195630
3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
CID 79838589
N-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]acetamide
CID 115191462
[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol
CID 115229600
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136364
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]amino]ethanethiol
CID 115224523
N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
CID 79830139
3-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830322
2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine
CID 82470188
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol
CID 116841059

Frequently Asked Questions

What is the IUPAC name of [[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol?
The IUPAC name of [[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol (CID 115229672) is [[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol.
What is the SMILES notation for [[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol?
The canonical SMILES for [[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol is CC(C)(CNCO)c1ccc2c(c1)CCCO2.
What is the InChIKey of [[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol?
The InChIKey is RQBBLQVTCOILKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,9-15-10-16)12-5-6-13-11(8-12)4-3-7-17-13/h5-6,8,15-16H,3-4,7,9-10H2,1-2H3.
What are the key properties of [[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol?
[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol is sourced from PubChem (CID 115229672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).