2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol

C16H27NO2 — CID 115137703

IUPAC2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCCc1cc(CCNC(CO)C(C)C)ccc1OC
InChIInChI=1S/C16H27NO2/c1-5-14-10-13(6-7-16(14)19-4)8-9-17-15(11-18)12(2)3/h6-7,10,12,15,17-18H,5,8-9,11H2,1-4H3
InChIKeyJKPMAXNUBVHQIW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.41
Rot. Bonds8

About 2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol

2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 115137703) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID115137703
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCCc1cc(CCNC(CO)C(C)C)ccc1OC
InChIInChI=1S/C16H27NO2/c1-5-14-10-13(6-7-16(14)19-4)8-9-17-15(11-18)12(2)3/h6-7,10,12,15,17-18H,5,8-9,11H2,1-4H3
InChIKeyJKPMAXNUBVHQIW-UHFFFAOYSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 115138276
(2S)-2-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 79249013
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137706
4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217777
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137605
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
CID 110788746
2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137696
3-amino-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-2-hydroxypropanamide
CID 115180756
2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254471
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243653
3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol
CID 115137707

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol (CID 115137703) is 2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol is CCc1cc(CCNC(CO)C(C)C)ccc1OC.
What is the InChIKey of 2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is JKPMAXNUBVHQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-14-10-13(6-7-16(14)19-4)8-9-17-15(11-18)12(2)3/h6-7,10,12,15,17-18H,5,8-9,11H2,1-4H3.
What are the key properties of 2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol?
2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).