1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol

C15H23NO2 — CID 115137029

IUPAC1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
SMILESCN(Cc1ccc2c(c1)CCCO2)CC(C)(C)O
InChIInChI=1S/C15H23NO2/c1-15(2,17)11-16(3)10-12-6-7-14-13(9-12)5-4-8-18-14/h6-7,9,17H,4-5,8,10-11H2,1-3H3
InChIKeyCUNCXQGTMJHRDP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.21
Rot. Bonds4

About 1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol

1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol (PubChem CID 115137029) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
PubChem CID115137029
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
SMILESCN(Cc1ccc2c(c1)CCCO2)CC(C)(C)O
InChIInChI=1S/C15H23NO2/c1-15(2,17)11-16(3)10-12-6-7-14-13(9-12)5-4-8-18-14/h6-7,9,17H,4-5,8,10-11H2,1-3H3
InChIKeyCUNCXQGTMJHRDP-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200729
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
CID 115191993
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine
CID 117040712
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
2-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]propanenitrile
CID 115130295
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204974
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
CID 116849113

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol (CID 115137029) is 1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol is CN(Cc1ccc2c(c1)CCCO2)CC(C)(C)O.
What is the InChIKey of 1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol?
The InChIKey is CUNCXQGTMJHRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,17)11-16(3)10-12-6-7-14-13(9-12)5-4-8-18-14/h6-7,9,17H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol?
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 115137029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).