1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine

C17H19NO — CID 114746628

IUPAC1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1-c1cccc2c1OCCC2
InChIInChI=1S/C17H19NO/c1-12(18)14-8-2-3-9-15(14)16-10-4-6-13-7-5-11-19-17(13)16/h2-4,6,8-10,12H,5,7,11,18H2,1H3
InChIKeyQGBTXDUIFVQZDF-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.70
Rot. Bonds2

About 1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine

1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine (PubChem CID 114746628) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine
PubChem CID114746628
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1-c1cccc2c1OCCC2
InChIInChI=1S/C17H19NO/c1-12(18)14-8-2-3-9-15(14)16-10-4-6-13-7-5-11-19-17(13)16/h2-4,6,8-10,12H,5,7,11,18H2,1H3
InChIKeyQGBTXDUIFVQZDF-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-fluorophenyl)-3,4-dihydro-2H-chromene;methanamine
CID 143567573
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
3-(3,4-dihydro-2H-chromen-8-yl)-2-methylpyridine;methanamine
CID 165409090
8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene
CID 70322575
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine
CID 68796634
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine
CID 114746248

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine (CID 114746628) is 1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine is CC(N)c1ccccc1-c1cccc2c1OCCC2.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine?
The InChIKey is QGBTXDUIFVQZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12(18)14-8-2-3-9-15(14)16-10-4-6-13-7-5-11-19-17(13)16/h2-4,6,8-10,12H,5,7,11,18H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine?
1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine is sourced from PubChem (CID 114746628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).