1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine

C13H19NO2 — CID 114745115

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1cccc2c1OCCC2
InChIInChI=1S/C13H19NO2/c1-15-9-7-12(14)11-6-2-4-10-5-3-8-16-13(10)11/h2,4,6,12H,3,5,7-9,14H2,1H3
InChIKeyNDOXRAOPXUXYJW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine

1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine (PubChem CID 114745115) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
PubChem CID114745115
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1cccc2c1OCCC2
InChIInChI=1S/C13H19NO2/c1-15-9-7-12(14)11-6-2-4-10-5-3-8-16-13(10)11/h2,4,6,12H,3,5,7-9,14H2,1H3
InChIKeyNDOXRAOPXUXYJW-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methylbutan-1-amine
CID 114744902
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol
CID 114747435
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
CID 114745447
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745496
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine
CID 114746248
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine
CID 114745726
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine
CID 105049013
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
CID 114744832
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745649

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine (CID 114745115) is 1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine is COCCC(N)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine?
The InChIKey is NDOXRAOPXUXYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-9-7-12(14)11-6-2-4-10-5-3-8-16-13(10)11/h2,4,6,12H,3,5,7-9,14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.05, 4 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)-3-methoxypropan-1-amine is sourced from PubChem (CID 114745115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).