(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine

C13H21NO2 — CID 171201173

IUPAC(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
SMILESCOc1cccc(OC)c1[C@H](N)CC(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)8-10(14)13-11(15-3)6-5-7-12(13)16-4/h5-7,9-10H,8,14H2,1-4H3/t10-/m1/s1
InChIKeyYOKZFPXSBGHVTJ-SNVBAGLBSA-N
MW223.32 g/mol
LogP2.75
Rot. Bonds5

About (1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine

(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine (PubChem CID 171201173) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
PubChem CID171201173
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
SMILESCOc1cccc(OC)c1[C@H](N)CC(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)8-10(14)13-11(15-3)6-5-7-12(13)16-4/h5-7,9-10H,8,14H2,1-4H3/t10-/m1/s1
InChIKeyYOKZFPXSBGHVTJ-SNVBAGLBSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171220710
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171230236
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
ethyl (2S,4S)-4-amino-4-(2,6-dimethoxyphenyl)-2-methylbutanoate
CID 129395371
ethyl 4-amino-4-(2,6-dimethoxyphenyl)-2-methylbutanoate
CID 69085588
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171201179
(1S)-1-(2,6-dimethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171220704
1-(2-chloro-6-methoxyphenyl)-4-methylpentan-2-amine
CID 104816512

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine (CID 171201173) is (1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine is COc1cccc(OC)c1[C@H](N)CC(C)C.
What is the InChIKey of (1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine?
The InChIKey is YOKZFPXSBGHVTJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)8-10(14)13-11(15-3)6-5-7-12(13)16-4/h5-7,9-10H,8,14H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine?
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 171201173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).