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

C16H25NO2 — CID 105179792

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine
SMILESCCCOCCC(N)CC1CCOc2ccccc21
InChIInChI=1S/C16H25NO2/c1-2-9-18-10-8-14(17)12-13-7-11-19-16-6-4-3-5-15(13)16/h3-6,13-14H,2,7-12,17H2,1H3
InChIKeyBHEAZUZKTSYGPV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds7

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

1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine (PubChem CID 105179792) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine
PubChem CID105179792
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine
SMILESCCCOCCC(N)CC1CCOc2ccccc21
InChIInChI=1S/C16H25NO2/c1-2-9-18-10-8-14(17)12-13-7-11-19-16-6-4-3-5-15(13)16/h3-6,13-14H,2,7-12,17H2,1H3
InChIKeyBHEAZUZKTSYGPV-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
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)-3-propoxypropan-2-amine
CID 104770299
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559790
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
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
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 104770463
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine
CID 104770116
1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine
CID 104770108
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine (CID 105179792) is 1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine is CCCOCCC(N)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine?
The InChIKey is BHEAZUZKTSYGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-9-18-10-8-14(17)12-13-7-11-19-16-6-4-3-5-15(13)16/h3-6,13-14H,2,7-12,17H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.09, 7 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)-4-propoxybutan-2-amine is sourced from PubChem (CID 105179792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).