1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine

C17H27NO2 — CID 114745447

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1cccc2c1OCCC2
InChIInChI=1S/C17H27NO2/c1-3-11-18-16(10-6-12-19-2)15-9-4-7-14-8-5-13-20-17(14)15/h4,7,9,16,18H,3,5-6,8,10-13H2,1-2H3
InChIKeyRSNYLUKEYAVOAO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.48
Rot. Bonds8

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

1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine (PubChem CID 114745447) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
PubChem CID114745447
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1cccc2c1OCCC2
InChIInChI=1S/C17H27NO2/c1-3-11-18-16(10-6-12-19-2)15-9-4-7-14-8-5-13-20-17(14)15/h4,7,9,16,18H,3,5-6,8,10-13H2,1-2H3
InChIKeyRSNYLUKEYAVOAO-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.48
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)-4-methoxybutan-1-amine
CID 114745442
1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114745113
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
CID 114745351
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105187250
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103029496
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114746254
N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 114745087
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 114745074
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol
CID 114747435
1-(2-bromo-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 107985503

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine (CID 114745447) is 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine is CCCNC(CCCOC)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine?
The InChIKey is RSNYLUKEYAVOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-11-18-16(10-6-12-19-2)15-9-4-7-14-8-5-13-20-17(14)15/h4,7,9,16,18H,3,5-6,8,10-13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.48, 8 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-8-yl)-4-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 114745447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).