1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol

C16H25NO2 — CID 107152683

IUPAC1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCC1OCCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-12(2)9-14(18)10-17-11-16-15-6-4-3-5-13(15)7-8-19-16/h3-6,12,14,16-18H,7-11H2,1-2H3
InChIKeyFNLACQUFAYUWFN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.30
Rot. Bonds6

About 1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol

1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol (PubChem CID 107152683) 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-ylmethylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol
PubChem CID107152683
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCC1OCCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-12(2)9-14(18)10-17-11-16-15-6-4-3-5-13(15)7-8-19-16/h3-6,12,14,16-18H,7-11H2,1-2H3
InChIKeyFNLACQUFAYUWFN-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-3-phenoxypropan-2-ol
CID 911090
3-amino-1-(3,4-dihydro-1H-isochromen-1-yl)-5-methylhexan-2-one
CID 116553580
3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]pentan-3-ol
CID 65111268
2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)propane-1,3-diol
CID 65314114
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)prop-2-en-1-amine
CID 15232789
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)hexan-1-amine
CID 45142695
1-(3,4-dihydro-1H-isochromen-1-yl)-3,4-dimethylpentan-2-one
CID 114977062
5-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45237306
1-(3-chlorocyclopentyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)methanamine
CID 114146206
(1S)-1-(2-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanamine
CID 81374878
3-chloro-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methoxybutan-1-amine
CID 106242380
3-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-N,2,2-trimethylpropanamide
CID 106276945

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol (CID 107152683) is 1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol is CC(C)CC(O)CNCC1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol?
The InChIKey is FNLACQUFAYUWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)9-14(18)10-17-11-16-15-6-4-3-5-13(15)7-8-19-16/h3-6,12,14,16-18H,7-11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol?
1-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-methylpentan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.30, 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-1-ylmethylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 107152683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).