1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine

C14H23NO — CID 115792789

IUPAC1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCNC(c1ccccc1OC)C(C)C(C)C
InChIInChI=1S/C14H23NO/c1-10(2)11(3)14(15-4)12-8-6-7-9-13(12)16-5/h6-11,14-15H,1-5H3
InChIKeyGLWQMCZIIBIHQJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.25
Rot. Bonds5

About 1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine

1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine (PubChem CID 115792789) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
PubChem CID115792789
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCNC(c1ccccc1OC)C(C)C(C)C
InChIInChI=1S/C14H23NO/c1-10(2)11(3)14(15-4)12-8-6-7-9-13(12)16-5/h6-11,14-15H,1-5H3
InChIKeyGLWQMCZIIBIHQJ-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 105024933
1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115853624
2-[(2-methoxyphenyl)-(methylamino)methyl]-3-methylbutanoic acid
CID 116959814
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954416
3-(2-methoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953394
1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
CID 114246284
3-(2-methoxyphenyl)-2,3-bis(methylamino)propanoic acid
CID 116961127
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine (CID 115792789) is 1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine is CNC(c1ccccc1OC)C(C)C(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The InChIKey is GLWQMCZIIBIHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)11(3)14(15-4)12-8-6-7-9-13(12)16-5/h6-11,14-15H,1-5H3.
What are the key properties of 1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine?
1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 115792789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).