3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol

C17H29NO3 — CID 103949850

IUPAC3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol
SMILESCc1ccccc1OCC(O)CNC(CCO)C(C)(C)C
InChIInChI=1S/C17H29NO3/c1-13-7-5-6-8-15(13)21-12-14(20)11-18-16(9-10-19)17(2,3)4/h5-8,14,16,18-20H,9-12H2,1-4H3
InChIKeyKHSGHKPSYQMQLR-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.12
Rot. Bonds8

About 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol

3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 103949850) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID103949850
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol
SMILESCc1ccccc1OCC(O)CNC(CCO)C(C)(C)C
InChIInChI=1S/C17H29NO3/c1-13-7-5-6-8-15(13)21-12-14(20)11-18-16(9-10-19)17(2,3)4/h5-8,14,16,18-20H,9-12H2,1-4H3
InChIKeyKHSGHKPSYQMQLR-UHFFFAOYSA-N
XLogP2.12
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 54332913
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 114941993
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 111462130
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol (CID 103949850) is 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol is Cc1ccccc1OCC(O)CNC(CCO)C(C)(C)C.
What is the InChIKey of 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is KHSGHKPSYQMQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13-7-5-6-8-15(13)21-12-14(20)11-18-16(9-10-19)17(2,3)4/h5-8,14,16,18-20H,9-12H2,1-4H3.
What are the key properties of 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol?
3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 295.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103949850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).