1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine

C16H25NO2 — CID 116716259

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine
SMILESCCOC(CC)C(N)CC1OCCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-3-15(18-4-2)14(17)11-16-13-8-6-5-7-12(13)9-10-19-16/h5-8,14-16H,3-4,9-11,17H2,1-2H3
InChIKeyQKBCWDVFGWRBMQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds6

About 1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine

1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine (PubChem CID 116716259) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine
PubChem CID116716259
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine
SMILESCCOC(CC)C(N)CC1OCCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-3-15(18-4-2)14(17)11-16-13-8-6-5-7-12(13)9-10-19-16/h5-8,14-16H,3-4,9-11,17H2,1-2H3
InChIKeyQKBCWDVFGWRBMQ-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylhexan-2-amine
CID 114983674
1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 114984419
1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 114984434
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine
CID 116715381
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
CID 114984660
3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093089
1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758470
[1-cyclopropyl-3-(3,4-dihydro-1H-isochromen-1-yl)-1-ethoxypropan-2-yl]hydrazine
CID 114984946
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 114983702
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)pentan-2-one
CID 79428811
1-(3,4-dihydro-1H-isochromen-1-yl)-4-ethoxybutan-2-ol
CID 114983995
1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine
CID 65091802

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine (CID 116716259) is 1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine is CCOC(CC)C(N)CC1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine?
The InChIKey is QKBCWDVFGWRBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-15(18-4-2)14(17)11-16-13-8-6-5-7-12(13)9-10-19-16/h5-8,14-16H,3-4,9-11,17H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine?
1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.83, 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-1H-isochromen-1-yl)-3-ethoxypentan-2-amine is sourced from PubChem (CID 116716259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).