(1S)-2-amino-1-(2-butoxyphenyl)ethanol

C12H19NO2 — CID 39242449

IUPAC(1S)-2-amino-1-(2-butoxyphenyl)ethanol
SMILESCCCCOc1ccccc1[C@H](O)CN
InChIInChI=1S/C12H19NO2/c1-2-3-8-15-12-7-5-4-6-10(12)11(14)9-13/h4-7,11,14H,2-3,8-9,13H2,1H3/t11-/m1/s1
InChIKeyLJQQFWIASZPWNT-LLVKDONJSA-N
MW209.29 g/mol
LogP1.86
Rot. Bonds6

About (1S)-2-amino-1-(2-butoxyphenyl)ethanol

(1S)-2-amino-1-(2-butoxyphenyl)ethanol (PubChem CID 39242449) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S)-2-amino-1-(2-butoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(2-butoxyphenyl)ethanol
PubChem CID39242449
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1S)-2-amino-1-(2-butoxyphenyl)ethanol
SMILESCCCCOc1ccccc1[C@H](O)CN
InChIInChI=1S/C12H19NO2/c1-2-3-8-15-12-7-5-4-6-10(12)11(14)9-13/h4-7,11,14H,2-3,8-9,13H2,1H3/t11-/m1/s1
InChIKeyLJQQFWIASZPWNT-LLVKDONJSA-N
XLogP1.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
2-amino-1-(2-hexoxyphenyl)ethanol
CID 102543640
(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
CID 124500421
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
1-(2-butoxyphenyl)-2,2,2-trichloroethanol
CID 119091928
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(2-butoxyphenyl)ethanol?
The IUPAC name of (1S)-2-amino-1-(2-butoxyphenyl)ethanol (CID 39242449) is (1S)-2-amino-1-(2-butoxyphenyl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(2-butoxyphenyl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(2-butoxyphenyl)ethanol is CCCCOc1ccccc1[C@H](O)CN.
What is the InChIKey of (1S)-2-amino-1-(2-butoxyphenyl)ethanol?
The InChIKey is LJQQFWIASZPWNT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-8-15-12-7-5-4-6-10(12)11(14)9-13/h4-7,11,14H,2-3,8-9,13H2,1H3/t11-/m1/s1.
What are the key properties of (1S)-2-amino-1-(2-butoxyphenyl)ethanol?
(1S)-2-amino-1-(2-butoxyphenyl)ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(2-butoxyphenyl)ethanol is sourced from PubChem (CID 39242449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).