1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol

C16H25NO2 — CID 106284691

IUPAC1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC1COCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-3-12(4-2)16(18)9-17-15-11-19-10-13-7-5-6-8-14(13)15/h5-8,12,15-18H,3-4,9-11H2,1-2H3
InChIKeyPRNVFCDJTWPCOU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.64
Rot. Bonds6

About 1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol

1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol (PubChem CID 106284691) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol
PubChem CID106284691
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC1COCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-3-12(4-2)16(18)9-17-15-11-19-10-13-7-5-6-8-14(13)15/h5-8,12,15-18H,3-4,9-11H2,1-2H3
InChIKeyPRNVFCDJTWPCOU-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol with MolForge

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Related Compounds

N-(2-ethylhexyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148861
N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149306
5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol
CID 106144670
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149440
N-(2,2,3,3-tetrafluoropropyl)-3,4-dihydro-1H-isochromen-4-amine
CID 114169070
2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol
CID 107148964
2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone
CID 107149625
2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide
CID 114132346
3-(3,4-dihydro-1H-isochromen-4-ylamino)propanamide
CID 107148972
3-ethyl-1-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pentan-2-ol
CID 103783046
2-(3,4-dihydro-1H-isochromen-4-ylamino)-2-methylpropane-1,3-diol
CID 107149576
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol (CID 106284691) is 1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol is CCC(CC)C(O)CNC1COCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol?
The InChIKey is PRNVFCDJTWPCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-12(4-2)16(18)9-17-15-11-19-10-13-7-5-6-8-14(13)15/h5-8,12,15-18H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol?
1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol is sourced from PubChem (CID 106284691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).