2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol

C13H21NO2 — CID 79135152

IUPAC2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-4-13(2,9-14)12(15)10-7-5-6-8-11(10)16-3/h5-8,12,15H,4,9,14H2,1-3H3
InChIKeyYGOGDOVDZBYCSL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.10
Rot. Bonds5

About 2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol

2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol (PubChem CID 79135152) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol
PubChem CID79135152
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-4-13(2,9-14)12(15)10-7-5-6-8-11(10)16-3/h5-8,12,15H,4,9,14H2,1-3H3
InChIKeyYGOGDOVDZBYCSL-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(2-bromo-4,5-dimethoxyphenyl)-2-methylbutan-1-ol
CID 79135066
2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol
CID 79137885
2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol
CID 79125953
3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 79135373
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176
2-(aminomethyl)-1-(6-methoxy-2-pyridinyl)-2-methylbutan-1-ol
CID 103348729
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751948
2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol
CID 115350167
(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162425
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
(1R,3S)-3-amino-1-(2-methoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171236822

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol (CID 79135152) is 2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol is CCC(C)(CN)C(O)c1ccccc1OC.
What is the InChIKey of 2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol?
The InChIKey is YGOGDOVDZBYCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-13(2,9-14)12(15)10-7-5-6-8-11(10)16-3/h5-8,12,15H,4,9,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol?
2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 79135152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).