3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol

C16H27NO2 — CID 62022557

IUPAC3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
SMILESCc1ccc(C)c(OCCN(CCCO)C(C)C)c1
InChIInChI=1S/C16H27NO2/c1-13(2)17(8-5-10-18)9-11-19-16-12-14(3)6-7-15(16)4/h6-7,12-13,18H,5,8-11H2,1-4H3
InChIKeyYBCXFTWKPFNEKS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.78
Rot. Bonds8

About 3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol

3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol (PubChem CID 62022557) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
PubChem CID62022557
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
SMILESCc1ccc(C)c(OCCN(CCCO)C(C)C)c1
InChIInChI=1S/C16H27NO2/c1-13(2)17(8-5-10-18)9-11-19-16-12-14(3)6-7-15(16)4/h6-7,12-13,18H,5,8-11H2,1-4H3
InChIKeyYBCXFTWKPFNEKS-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039897
3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022201
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326
2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol
CID 118501595
3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022768
2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium
CID 2262147
3-[5-(2,5-dimethylphenoxy)pentanoyl-propan-2-ylamino]propanoic acid
CID 119207373
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972
2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691948
1,4-dimethyl-2-pentoxybenzene
CID 59184214
(2S)-5-(2,5-dimethylphenoxy)-2-methylpentanoic acid
CID 92849810
4-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]butanoic acid
CID 60833789

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol (CID 62022557) is 3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol is Cc1ccc(C)c(OCCN(CCCO)C(C)C)c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The InChIKey is YBCXFTWKPFNEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)17(8-5-10-18)9-11-19-16-12-14(3)6-7-15(16)4/h6-7,12-13,18H,5,8-11H2,1-4H3.
What are the key properties of 3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62022557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).