2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol

C14H23NO2 — CID 82291991

IUPAC2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol
SMILESCOc1cc(C)c(C)cc1C(O)C(N)C(C)C
InChIInChI=1S/C14H23NO2/c1-8(2)13(15)14(16)11-6-9(3)10(4)7-12(11)17-5/h6-8,13-14,16H,15H2,1-5H3
InChIKeySLCVCZPNAQEULL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.33
Rot. Bonds4

About 2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol

2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol (PubChem CID 82291991) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol
PubChem CID82291991
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol
SMILESCOc1cc(C)c(C)cc1C(O)C(N)C(C)C
InChIInChI=1S/C14H23NO2/c1-8(2)13(15)14(16)11-6-9(3)10(4)7-12(11)17-5/h6-8,13-14,16H,15H2,1-5H3
InChIKeySLCVCZPNAQEULL-UHFFFAOYSA-N
XLogP2.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 82300217
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol
CID 116939456
methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate
CID 82350031
3-amino-4-hydroxy-4-(2-methoxy-4,5-dimethylphenyl)butanoic acid
CID 82350007
methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116947260
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
2-[amino-(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylbutanoic acid
CID 116945187
1-(2,4-dimethoxy-5-methylphenyl)ethanol
CID 84666953
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
CID 116863696
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol (CID 82291991) is 2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol is COc1cc(C)c(C)cc1C(O)C(N)C(C)C.
What is the InChIKey of 2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol?
The InChIKey is SLCVCZPNAQEULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-8(2)13(15)14(16)11-6-9(3)10(4)7-12(11)17-5/h6-8,13-14,16H,15H2,1-5H3.
What are the key properties of 2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol?
2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82291991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).