1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol

C15H23NO4 — CID 115454816

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)CNCC2(CO)CC2)c1
InChIInChI=1S/C15H23NO4/c1-19-13-3-2-4-14(7-13)20-9-12(18)8-16-10-15(11-17)5-6-15/h2-4,7,12,16-18H,5-6,8-11H2,1H3
InChIKeyNZOKLBNGGHDULW-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.80
Rot. Bonds9

About 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol

1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol (PubChem CID 115454816) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol
PubChem CID115454816
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)CNCC2(CO)CC2)c1
InChIInChI=1S/C15H23NO4/c1-19-13-3-2-4-14(7-13)20-9-12(18)8-16-10-15(11-17)5-6-15/h2-4,7,12,16-18H,5-6,8-11H2,1H3
InChIKeyNZOKLBNGGHDULW-UHFFFAOYSA-N
XLogP0.80
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(3-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454685
1-(3-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propan-2-ol
CID 115359523
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 115454706
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756333
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822
1-(3-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964669
1-(1-adamantylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 132585829
1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454663
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol
CID 65111897
1-(4-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propan-2-ol
CID 115359592

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol (CID 115454816) is 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol is COc1cccc(OCC(O)CNCC2(CO)CC2)c1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol?
The InChIKey is NZOKLBNGGHDULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-19-13-3-2-4-14(7-13)20-9-12(18)8-16-10-15(11-17)5-6-15/h2-4,7,12,16-18H,5-6,8-11H2,1H3.
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol?
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol has a molecular weight of 281.35 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 115454816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).