3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol

C16H27NO2 — CID 115137707

IUPAC3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol
SMILESCC(C)Oc1ccc(CCNC(CO)C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)16(11-18)17-10-9-14-5-7-15(8-6-14)19-13(3)4/h5-8,12-13,16-18H,9-11H2,1-4H3
InChIKeyUEJYTAUMVVOOQG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.62
Rot. Bonds8

About 3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol

3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol (PubChem CID 115137707) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol
PubChem CID115137707
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol
SMILESCC(C)Oc1ccc(CCNC(CO)C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)16(11-18)17-10-9-14-5-7-15(8-6-14)19-13(3)4/h5-8,12-13,16-18H,9-11H2,1-4H3
InChIKeyUEJYTAUMVVOOQG-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 79249013
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol
CID 115251014
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137703
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137706
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 115260110
2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137737
3-[2-(4-propan-2-yloxyphenyl)ethylamino]propane-1-thiol
CID 115225125
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol?
The IUPAC name of 3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol (CID 115137707) is 3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol is CC(C)Oc1ccc(CCNC(CO)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol?
The InChIKey is UEJYTAUMVVOOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)16(11-18)17-10-9-14-5-7-15(8-6-14)19-13(3)4/h5-8,12-13,16-18H,9-11H2,1-4H3.
What are the key properties of 3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol?
3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 115137707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).