1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol

C16H25NO3 — CID 115454663

IUPAC1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCC2(CO)CC2)c(C)c1
InChIInChI=1S/C16H25NO3/c1-12-3-4-15(13(2)7-12)20-9-14(19)8-17-10-16(11-18)5-6-16/h3-4,7,14,17-19H,5-6,8-11H2,1-2H3
InChIKeyFKKHBKSOZBBQMR-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.41
Rot. Bonds8

About 1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol

1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol (PubChem CID 115454663) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
PubChem CID115454663
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCC2(CO)CC2)c(C)c1
InChIInChI=1S/C16H25NO3/c1-12-3-4-15(13(2)7-12)20-9-14(19)8-17-10-16(11-18)5-6-16/h3-4,7,14,17-19H,5-6,8-11H2,1-2H3
InChIKeyFKKHBKSOZBBQMR-UHFFFAOYSA-N
XLogP1.41
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol with MolForge

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 115454706
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2,2-difluoropropan-1-ol
CID 106176538
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 115454816
(2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol
CID 39818664
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
1-(3-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454685
1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107417965
1-(2,4-dimethylphenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211708
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
(2S)-1-(2,4-dimethylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7013004
1-(2,4-dimethylphenoxy)-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473977

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol (CID 115454663) is 1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol is Cc1ccc(OCC(O)CNCC2(CO)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol?
The InChIKey is FKKHBKSOZBBQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-3-4-15(13(2)7-12)20-9-14(19)8-17-10-16(11-18)5-6-16/h3-4,7,14,17-19H,5-6,8-11H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol is sourced from PubChem (CID 115454663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).