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

C18H29NO2 — CID 107417965

IUPAC1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCC2CCCC2C)c(C)c1
InChIInChI=1S/C18H29NO2/c1-13-7-8-18(15(3)9-13)21-12-17(20)11-19-10-16-6-4-5-14(16)2/h7-9,14,16-17,19-20H,4-6,10-12H2,1-3H3
InChIKeyMIUGGASISDIUSD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.07
Rot. Bonds7

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

1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol (PubChem CID 107417965) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
PubChem CID107417965
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCC2CCCC2C)c(C)c1
InChIInChI=1S/C18H29NO2/c1-13-7-8-18(15(3)9-13)21-12-17(20)11-19-10-16-6-4-5-14(16)2/h7-9,14,16-17,19-20H,4-6,10-12H2,1-3H3
InChIKeyMIUGGASISDIUSD-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301
(2S)-1-(2,4-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 11863217
(2R)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767536
(2S)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767533
1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454663
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2,2-difluoropropan-1-ol
CID 106176538
2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 110902009
1-(2,4-dimethylphenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211708
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol (CID 107417965) is 1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol is Cc1ccc(OCC(O)CNCC2CCCC2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol?
The InChIKey is MIUGGASISDIUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-7-8-18(15(3)9-13)21-12-17(20)11-19-10-16-6-4-5-14(16)2/h7-9,14,16-17,19-20H,4-6,10-12H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol is sourced from PubChem (CID 107417965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).