2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine

C13H19NO — CID 82470188

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19NO/c1-13(2,14-3)11-6-7-12-10(9-11)5-4-8-15-12/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeySTAWUXJKHJCIEF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.47
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine

2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine (PubChem CID 82470188) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine
PubChem CID82470188
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19NO/c1-13(2,14-3)11-6-7-12-10(9-11)5-4-8-15-12/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeySTAWUXJKHJCIEF-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]-N-methylmethanediamine
CID 115227515
3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
CID 79838589
[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
CID 115229672
N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
CID 79830139
N-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]acetamide
CID 115191462
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)-3,3-difluoropropan-1-amine
CID 116838573
3-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830322
2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 115132458
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
2-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylpropanenitrile
CID 115129022

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine (CID 82470188) is 2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine is CNC(C)(C)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine?
The InChIKey is STAWUXJKHJCIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,14-3)11-6-7-12-10(9-11)5-4-8-15-12/h6-7,9,14H,4-5,8H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine?
2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 82470188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).