2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol

C14H23NO2 — CID 54944684

IUPAC2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCCCCN(C)CC(O)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO2/c1-4-5-10-15(2)11-14(16)12-6-8-13(17-3)9-7-12/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyIPMSZOSHMNDYBL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.46
Rot. Bonds7

About 2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol

2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 54944684) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
PubChem CID54944684
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCCCCN(C)CC(O)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO2/c1-4-5-10-15(2)11-14(16)12-6-8-13(17-3)9-7-12/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyIPMSZOSHMNDYBL-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)propyl-methylamino]-1-(4-methoxyphenyl)ethanol
CID 63698745
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol
CID 63472288
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 63699784
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 110291139
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908142
3-[[2-hydroxy-2-(4-propoxyphenyl)ethyl]-methylamino]propanoic acid
CID 82216140
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol (CID 54944684) is 2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol is CCCCN(C)CC(O)c1ccc(OC)cc1.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is IPMSZOSHMNDYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-10-15(2)11-14(16)12-6-8-13(17-3)9-7-12/h6-9,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol?
2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 54944684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).