2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol

C13H21NO2 — CID 84688656

IUPAC2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
SMILESCOc1c(C)ccc(C(O)CN)c1C(C)C
InChIInChI=1S/C13H21NO2/c1-8(2)12-10(11(15)7-14)6-5-9(3)13(12)16-4/h5-6,8,11,15H,7,14H2,1-4H3
InChIKeyBHWHMIMKZOWDFG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol

2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol (PubChem CID 84688656) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
PubChem CID84688656
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
SMILESCOc1c(C)ccc(C(O)CN)c1C(C)C
InChIInChI=1S/C13H21NO2/c1-8(2)12-10(11(15)7-14)6-5-9(3)13(12)16-4/h5-6,8,11,15H,7,14H2,1-4H3
InChIKeyBHWHMIMKZOWDFG-UHFFFAOYSA-N
XLogP2.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-4-methyl-2-propan-2-ylphenyl)propan-1-amine
CID 117317005
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 117297929
1-(2-methoxy-3,6-dimethylphenyl)ethanol
CID 117278453
2-(2-amino-1-hydroxyethyl)-6-methyl-3-propan-2-ylphenol
CID 84677143
(E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine
CID 117313206
2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
CID 117486740
1-(2-bromo-3-methoxy-4-methylphenyl)ethanol
CID 117364093
4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
CID 84781748
4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
CID 84785759
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 84786994
1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 103433099

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol (CID 84688656) is 2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol is COc1c(C)ccc(C(O)CN)c1C(C)C.
What is the InChIKey of 2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol?
The InChIKey is BHWHMIMKZOWDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8(2)12-10(11(15)7-14)6-5-9(3)13(12)16-4/h5-6,8,11,15H,7,14H2,1-4H3.
What are the key properties of 2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol?
2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol has a molecular weight of 223.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 84688656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).