2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol

C15H25NO3 — CID 115638131

IUPAC2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
SMILESCCOc1ccc(OCCN(C)C(C)(C)CO)cc1
InChIInChI=1S/C15H25NO3/c1-5-18-13-6-8-14(9-7-13)19-11-10-16(4)15(2,3)12-17/h6-9,17H,5,10-12H2,1-4H3
InChIKeyQAIJCNIAMBZGEL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.17
Rot. Bonds8

About 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol

2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115638131) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
PubChem CID115638131
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
SMILESCCOc1ccc(OCCN(C)C(C)(C)CO)cc1
InChIInChI=1S/C15H25NO3/c1-5-18-13-6-8-14(9-7-13)19-11-10-16(4)15(2,3)12-17/h6-9,17H,5,10-12H2,1-4H3
InChIKeyQAIJCNIAMBZGEL-UHFFFAOYSA-N
XLogP2.17
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115637871
2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol
CID 115637938
4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline
CID 63983501
1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine
CID 113476446
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine
CID 63966983
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527
3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022768
2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol
CID 82214847
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912728
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol (CID 115638131) is 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol is CCOc1ccc(OCCN(C)C(C)(C)CO)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is QAIJCNIAMBZGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-18-13-6-8-14(9-7-13)19-11-10-16(4)15(2,3)12-17/h6-9,17H,5,10-12H2,1-4H3.
What are the key properties of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol?
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115638131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).