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

C15H23NO2 — CID 104770299

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine
SMILESCCCOCC(N)CC1CCOc2ccccc21
InChIInChI=1S/C15H23NO2/c1-2-8-17-11-13(16)10-12-7-9-18-15-6-4-3-5-14(12)15/h3-6,12-13H,2,7-11,16H2,1H3
InChIKeyGUBSZYAUBFSPTH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds6

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

1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine (PubChem CID 104770299) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine
PubChem CID104770299
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine
SMILESCCCOCC(N)CC1CCOc2ccccc21
InChIInChI=1S/C15H23NO2/c1-2-8-17-11-13(16)10-12-7-9-18-15-6-4-3-5-14(12)15/h3-6,12-13H,2,7-11,16H2,1H3
InChIKeyGUBSZYAUBFSPTH-UHFFFAOYSA-N
XLogP2.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.70
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-4-yl)-4-propoxybutan-2-amine
CID 105179792
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559790
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine
CID 104770116
1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 104770463
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107004950
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine (CID 104770299) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine is CCCOCC(N)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine?
The InChIKey is GUBSZYAUBFSPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-8-17-11-13(16)10-12-7-9-18-15-6-4-3-5-14(12)15/h3-6,12-13H,2,7-11,16H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine is sourced from PubChem (CID 104770299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).