1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol

C14H21NO3 — CID 113485421

IUPAC1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC1(C)CC1
InChIInChI=1S/C14H21NO3/c1-14(7-8-14)15-9-11(16)10-18-13-6-4-3-5-12(13)17-2/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyNZQAYORSUQTMNJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.58
Rot. Bonds7

About 1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol

1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol (PubChem CID 113485421) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol
PubChem CID113485421
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC1(C)CC1
InChIInChI=1S/C14H21NO3/c1-14(7-8-14)15-9-11(16)10-18-13-6-4-3-5-12(13)17-2/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyNZQAYORSUQTMNJ-UHFFFAOYSA-N
XLogP1.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 63296623
1-[[4-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 70641431
1-(2-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965784
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol
CID 60900225
1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol
CID 70565218

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol?
The IUPAC name of 1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol (CID 113485421) is 1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol is COc1ccccc1OCC(O)CNC1(C)CC1.
What is the InChIKey of 1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol?
The InChIKey is NZQAYORSUQTMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(7-8-14)15-9-11(16)10-18-13-6-4-3-5-12(13)17-2/h3-6,11,15-16H,7-10H2,1-2H3.
What are the key properties of 1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol?
1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.58, 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-methylcyclopropyl)amino]propan-2-ol is sourced from PubChem (CID 113485421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).