3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine

C14H21NO — CID 114747537

IUPAC3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO/c1-14(2,8-9-15)12-7-3-5-11-6-4-10-16-13(11)12/h3,5,7H,4,6,8-10,15H2,1-2H3
InChIKeyQIELAPWCDGSIJL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.64
Rot. Bonds3

About 3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine

3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine (PubChem CID 114747537) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
PubChem CID114747537
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO/c1-14(2,8-9-15)12-7-3-5-11-6-4-10-16-13(11)12/h3,5,7H,4,6,8-10,15H2,1-2H3
InChIKeyQIELAPWCDGSIJL-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114747718
1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol
CID 114743669
1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
CID 114743820
7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 173236217
4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one
CID 114746860
(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 15605604
1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol
CID 114743230
1-(3,4-dihydro-2H-chromen-8-yl)-1-(furan-3-yl)ethanol
CID 114743643
3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine
CID 114747708
2-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanamine
CID 83829835
2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114747022
2-amino-2-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoropropanoic acid
CID 114746833

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine (CID 114747537) is 3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine is CC(C)(CCN)c1cccc2c1OCCC2.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine?
The InChIKey is QIELAPWCDGSIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,8-9-15)12-7-3-5-11-6-4-10-16-13(11)12/h3,5,7H,4,6,8-10,15H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine?
3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 114747537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).