1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol

C17H26N2O3 — CID 167917444

IUPAC1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNCc1cccc2c1CCOC2)CN1CCOCC1
InChIInChI=1S/C17H26N2O3/c20-16(12-19-5-8-21-9-6-19)11-18-10-14-2-1-3-15-13-22-7-4-17(14)15/h1-3,16,18,20H,4-13H2
InChIKeyZJQXXJHQIWCCDL-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.54
Rot. Bonds6

About 1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol

1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol (PubChem CID 167917444) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol
PubChem CID167917444
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNCc1cccc2c1CCOC2)CN1CCOCC1
InChIInChI=1S/C17H26N2O3/c20-16(12-19-5-8-21-9-6-19)11-18-10-14-2-1-3-15-13-22-7-4-17(14)15/h1-3,16,18,20H,4-13H2
InChIKeyZJQXXJHQIWCCDL-UHFFFAOYSA-N
XLogP0.54
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110928639
1-[(2,5-difluorophenyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 63032651
4-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]phenol
CID 115572172
1-morpholin-4-yl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897292
3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile
CID 60695641
1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60910058
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid
CID 82402911
2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol
CID 138056206
(2S)-1-[(2,3-dichlorophenyl)methylamino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 38054750
5-(chloromethyl)-3,4-dihydro-1H-isochromene
CID 124706944
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-4-ylmethylamino)propan-2-ol
CID 124702475

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol (CID 167917444) is 1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol is OC(CNCc1cccc2c1CCOC2)CN1CCOCC1.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is ZJQXXJHQIWCCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-16(12-19-5-8-21-9-6-19)11-18-10-14-2-1-3-15-13-22-7-4-17(14)15/h1-3,16,18,20H,4-13H2.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol?
1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 306.41 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 167917444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).