3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine

C15H23NO2 — CID 114746898

IUPAC3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1cccc2c1OCCC2
InChIInChI=1S/C15H23NO2/c1-17-12-10-16-9-3-7-13-5-2-6-14-8-4-11-18-15(13)14/h2,5-6,16H,3-4,7-12H2,1H3
InChIKeyYTWSVTQJDIEJSQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.18
Rot. Bonds7

About 3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine

3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 114746898) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID114746898
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1cccc2c1OCCC2
InChIInChI=1S/C15H23NO2/c1-17-12-10-16-9-3-7-13-5-2-6-14-8-4-11-18-15(13)14/h2,5-6,16H,3-4,7-12H2,1H3
InChIKeyYTWSVTQJDIEJSQ-UHFFFAOYSA-N
XLogP2.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol
CID 114747435
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
CID 114746902
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
CID 114746879
2-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanamine
CID 83829835
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094
2-[3-(2-methoxyethylamino)propyl]aniline
CID 107274451
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
CID 114745447
3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 114606219
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
CID 114745442

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine (CID 114746898) is 3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCc1cccc2c1OCCC2.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is YTWSVTQJDIEJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-12-10-16-9-3-7-13-5-2-6-14-8-4-11-18-15(13)14/h2,5-6,16H,3-4,7-12H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine?
3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 114746898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).