2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol

C12H19NO2 — CID 82077843

IUPAC2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
SMILESCOc1ccc(C(N)CO)cc1C(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)10-6-9(11(13)7-14)4-5-12(10)15-3/h4-6,8,11,14H,7,13H2,1-3H3
InChIKeyUUQKEAABPWEHAG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.81
Rot. Bonds4

About 2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol

2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol (PubChem CID 82077843) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
PubChem CID82077843
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
SMILESCOc1ccc(C(N)CO)cc1C(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)10-6-9(11(13)7-14)4-5-12(10)15-3/h4-6,8,11,14H,7,13H2,1-3H3
InChIKeyUUQKEAABPWEHAG-UHFFFAOYSA-N
XLogP1.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
CID 116830269
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
CID 112512598
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83926821
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
CID 66515047
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 116863189

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol (CID 82077843) is 2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol is COc1ccc(C(N)CO)cc1C(C)C.
What is the InChIKey of 2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol?
The InChIKey is UUQKEAABPWEHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)10-6-9(11(13)7-14)4-5-12(10)15-3/h4-6,8,11,14H,7,13H2,1-3H3.
What are the key properties of 2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol?
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 82077843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).