3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol

C15H25NO2 — CID 65337762

IUPAC3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
SMILESCCC(NC(C)C(C)(C)O)c1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-6-13(16-11(2)15(3,4)17)12-9-7-8-10-14(12)18-5/h7-11,13,16-17H,6H2,1-5H3
InChIKeyDMCFBODTWVIGSN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds6

About 3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol

3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol (PubChem CID 65337762) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
PubChem CID65337762
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
SMILESCCC(NC(C)C(C)(C)O)c1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-6-13(16-11(2)15(3,4)17)12-9-7-8-10-14(12)18-5/h7-11,13,16-17H,6H2,1-5H3
InChIKeyDMCFBODTWVIGSN-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81397361
tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
CID 103388310
2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944788
(2R)-2-[1-(2-methoxyphenyl)propylamino]-2-phenylethanol
CID 103788814
3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol
CID 65108193
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine
CID 103271705
methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate
CID 43787124
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240
N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine
CID 63997272

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol?
The IUPAC name of 3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol (CID 65337762) is 3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol is CCC(NC(C)C(C)(C)O)c1ccccc1OC.
What is the InChIKey of 3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol?
The InChIKey is DMCFBODTWVIGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-13(16-11(2)15(3,4)17)12-9-7-8-10-14(12)18-5/h7-11,13,16-17H,6H2,1-5H3.
What are the key properties of 3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol?
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 65337762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).