1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride

C21H25ClN2O3 — CID 14751001

IUPAC1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1noc2cccc(OCC(O)CNC3CCc4ccccc4C3)c12.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-14-21-19(7-4-8-20(21)26-23-14)25-13-18(24)12-22-17-10-9-15-5-2-3-6-16(15)11-17;/h2-8,17-18,22,24H,9-13H2,1H3;1H
InChIKeyDBZMFFMNQODXAM-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.44
Rot. Bonds6

About 1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride

1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 14751001) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
PubChem CID14751001
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1noc2cccc(OCC(O)CNC3CCc4ccccc4C3)c12.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-14-21-19(7-4-8-20(21)26-23-14)25-13-18(24)12-22-17-10-9-15-5-2-3-6-16(15)11-17;/h2-8,17-18,22,24H,9-13H2,1H3;1H
InChIKeyDBZMFFMNQODXAM-UHFFFAOYSA-N
XLogP3.44
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 14751044
1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14750999
4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 14750994
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14750950
7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one
CID 14750948
6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 14751073
1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 62305455
1-[4-(4,5,6,7-tetrahydro-1-benzofuran-2-yl)phenoxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14750973
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 14750939
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide
CID 139825452
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride (CID 14751001) is 1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride is Cc1noc2cccc(OCC(O)CNC3CCc4ccccc4C3)c12.Cl.
What is the InChIKey of 1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is DBZMFFMNQODXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c1-14-21-19(7-4-8-20(21)26-23-14)25-13-18(24)12-22-17-10-9-15-5-2-3-6-16(15)11-17;/h2-8,17-18,22,24H,9-13H2,1H3;1H.
What are the key properties of 1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 14751001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).