1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol

C13H21NO2 — CID 116859156

IUPAC1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
SMILESCOc1cc(C(C)C)ccc1CC(O)CN
InChIInChI=1S/C13H21NO2/c1-9(2)10-4-5-11(6-12(15)8-14)13(7-10)16-3/h4-5,7,9,12,15H,6,8,14H2,1-3H3
InChIKeyQLGHECUGUKMGNK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.68
Rot. Bonds5

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

1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol (PubChem CID 116859156) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
PubChem CID116859156
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
SMILESCOc1cc(C(C)C)ccc1CC(O)CN
InChIInChI=1S/C13H21NO2/c1-9(2)10-4-5-11(6-12(15)8-14)13(7-10)16-3/h4-5,7,9,12,15H,6,8,14H2,1-3H3
InChIKeyQLGHECUGUKMGNK-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol
CID 112518377
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
CID 116851139
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198519
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
CID 112513250
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
CID 115152376
3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116911721
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
CID 110782911

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol (CID 116859156) is 1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol is COc1cc(C(C)C)ccc1CC(O)CN.
What is the InChIKey of 1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol?
The InChIKey is QLGHECUGUKMGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)10-4-5-11(6-12(15)8-14)13(7-10)16-3/h4-5,7,9,12,15H,6,8,14H2,1-3H3.
What are the key properties of 1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol?
1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 116859156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).