3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol

C16H25NO2 — CID 65111268

IUPAC3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC1OCCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-3-16(18,4-2)12-17-11-15-14-8-6-5-7-13(14)9-10-19-15/h5-8,15,17-18H,3-4,9-12H2,1-2H3
InChIKeyCPBFIDOAQIDYPO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.44
Rot. Bonds6

About 3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol

3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol (PubChem CID 65111268) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol
PubChem CID65111268
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC1OCCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-3-16(18,4-2)12-17-11-15-14-8-6-5-7-13(14)9-10-19-15/h5-8,15,17-18H,3-4,9-12H2,1-2H3
InChIKeyCPBFIDOAQIDYPO-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255451
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpentan-3-amine
CID 65039540
3-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-N,2,2-trimethylpropanamide
CID 106276945
5-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106147358
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)hexan-1-amine
CID 45142695
1-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-3-(methylamino)propan-2-ol
CID 66040537
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)prop-2-en-1-amine
CID 15232789
1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol
CID 107152683
1-(3-chlorocyclopentyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)methanamine
CID 114146206
2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)propane-1,3-diol
CID 65314114
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 558742
2-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 119199061

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol (CID 65111268) is 3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCC1OCCc2ccccc21.
What is the InChIKey of 3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol?
The InChIKey is CPBFIDOAQIDYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-16(18,4-2)12-17-11-15-14-8-6-5-7-13(14)9-10-19-15/h5-8,15,17-18H,3-4,9-12H2,1-2H3.
What are the key properties of 3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol?
3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol has a molecular weight of 263.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65111268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).