2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine

C18H21NO2 — CID 11948118

IUPAC2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESNCCC1CCOc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C18H21NO2/c19-10-8-15-9-11-20-18-7-6-16(12-17(15)18)21-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13,19H2
InChIKeyXYRRJUKIZJPDQE-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.48
Rot. Bonds5

About 2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine

2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine (PubChem CID 11948118) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
PubChem CID11948118
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESNCCC1CCOc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C18H21NO2/c19-10-8-15-9-11-20-18-7-6-16(12-17(15)18)21-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13,19H2
InChIKeyXYRRJUKIZJPDQE-UHFFFAOYSA-N
XLogP3.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 79014406
2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 82078156
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate
CID 69379697
6-phenoxy-3,4-dihydro-2H-chromen-4-amine
CID 43155037
4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol
CID 130044406
N-[2-[(5-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)oxy]ethyl]ethanesulfonamide
CID 158915110
5-phenylmethoxy-3H-1-benzofuran-2-one
CID 50887902
(4R)-4-(2-hydroxy-4-phenylmethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185405
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348002
5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83039045

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The IUPAC name of 2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine (CID 11948118) is 2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine.
What is the SMILES notation for 2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The canonical SMILES for 2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine is NCCC1CCOc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The InChIKey is XYRRJUKIZJPDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c19-10-8-15-9-11-20-18-7-6-16(12-17(15)18)21-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13,19H2.
What are the key properties of 2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine?
2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine has a molecular weight of 283.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine is sourced from PubChem (CID 11948118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).