2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol

C13H21NO2 — CID 117115408

IUPAC2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol
SMILESCOC(C)CCc1ccc(C(N)CO)cc1
InChIInChI=1S/C13H21NO2/c1-10(16-2)3-4-11-5-7-12(8-6-11)13(14)9-15/h5-8,10,13,15H,3-4,9,14H2,1-2H3
InChIKeyIBNHQRHUJIYVKP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.65
Rot. Bonds6

About 2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol

2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol (PubChem CID 117115408) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol
PubChem CID117115408
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol
SMILESCOC(C)CCc1ccc(C(N)CO)cc1
InChIInChI=1S/C13H21NO2/c1-10(16-2)3-4-11-5-7-12(8-6-11)13(14)9-15/h5-8,10,13,15H,3-4,9,14H2,1-2H3
InChIKeyIBNHQRHUJIYVKP-UHFFFAOYSA-N
XLogP1.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-methoxybutyl)phenyl]ethanamine
CID 117110832
1-[4-(3-methoxybutyl)phenyl]propan-2-ol
CID 117114468
3-[4-(3-methoxybutyl)phenyl]propanoic acid
CID 117114845
2-amino-2-(4-octylphenyl)ethanol
CID 19881300
4-(3-methoxybutyl)benzoic acid
CID 117111500
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
2-[4-(3-methoxybutyl)phenyl]-2-oxoacetic acid
CID 117109018
1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol
CID 117115386
2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol
CID 84669975
4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
CID 113382671
5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
CID 113391349
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol (CID 117115408) is 2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol is COC(C)CCc1ccc(C(N)CO)cc1.
What is the InChIKey of 2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol?
The InChIKey is IBNHQRHUJIYVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(16-2)3-4-11-5-7-12(8-6-11)13(14)9-15/h5-8,10,13,15H,3-4,9,14H2,1-2H3.
What are the key properties of 2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol?
2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol is sourced from PubChem (CID 117115408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).