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

C14H21NO2 — CID 114745442

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO2/c1-16-9-4-8-13(15)12-7-2-5-11-6-3-10-17-14(11)12/h2,5,7,13H,3-4,6,8-10,15H2,1H3
InChIKeyJNFLLGMKWLGGRT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds5

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

1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine (PubChem CID 114745442) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
PubChem CID114745442
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO2/c1-16-9-4-8-13(15)12-7-2-5-11-6-3-10-17-14(11)12/h2,5,7,13H,3-4,6,8-10,15H2,1H3
InChIKeyJNFLLGMKWLGGRT-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
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)-3-methoxypropan-1-amine
CID 114745115
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
CID 114745447
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
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine
CID 105049013
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745496
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
CID 114744832
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
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)-4-methoxybutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine (CID 114745442) is 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine is COCCCC(N)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine?
The InChIKey is JNFLLGMKWLGGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-9-4-8-13(15)12-7-2-5-11-6-3-10-17-14(11)12/h2,5,7,13H,3-4,6,8-10,15H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.44, 5 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-methoxybutan-1-amine is sourced from PubChem (CID 114745442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).