1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol

C20H25NO3 — CID 14751044

IUPAC1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC1CCc2ccccc2C1
InChIInChI=1S/C20H25NO3/c1-23-19-8-4-5-9-20(19)24-14-18(22)13-21-17-11-10-15-6-2-3-7-16(15)12-17/h2-9,17-18,21-22H,10-14H2,1H3
InChIKeyVNGYBWTVYPYCEP-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.58
Rot. Bonds7

About 1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol

1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol (PubChem CID 14751044) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
PubChem CID14751044
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC1CCc2ccccc2C1
InChIInChI=1S/C20H25NO3/c1-23-19-8-4-5-9-20(19)24-14-18(22)13-21-17-11-10-15-6-2-3-7-16(15)12-17/h2-9,17-18,21-22H,10-14H2,1H3
InChIKeyVNGYBWTVYPYCEP-UHFFFAOYSA-N
XLogP2.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 14750994
1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14750999
1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14751001
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14750950
1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63364012
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
3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide
CID 139825452
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-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 63296623
7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one
CID 14750948

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol (CID 14751044) is 1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol is COc1ccccc1OCC(O)CNC1CCc2ccccc2C1.
What is the InChIKey of 1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol?
The InChIKey is VNGYBWTVYPYCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-23-19-8-4-5-9-20(19)24-14-18(22)13-21-17-11-10-15-6-2-3-7-16(15)12-17/h2-9,17-18,21-22H,10-14H2,1H3.
What are the key properties of 1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol?
1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol has a molecular weight of 327.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol is sourced from PubChem (CID 14751044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).