1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine

C16H27NO — CID 112513404

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1cc(C(C)C)ccc1OC)C(C)C
InChIInChI=1S/C16H27NO/c1-11(2)13-7-8-16(18-6)14(9-13)10-15(17-5)12(3)4/h7-9,11-12,15,17H,10H2,1-6H3
InChIKeyIZLWNQVTNTZEHA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.61
Rot. Bonds6

About 1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine

1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine (PubChem CID 112513404) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine
PubChem CID112513404
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1cc(C(C)C)ccc1OC)C(C)C
InChIInChI=1S/C16H27NO/c1-11(2)13-7-8-16(18-6)14(9-13)10-15(17-5)12(3)4/h7-9,11-12,15,17H,10H2,1-6H3
InChIKeyIZLWNQVTNTZEHA-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-propan-2-ylphenyl)-N,2-dimethylpropan-2-amine
CID 94686610
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol
CID 116930752
4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline
CID 116926089
2-amino-3-(2-methoxy-5-propan-2-ylphenyl)-N'-methylpropanehydrazide
CID 116849515
[(2-methoxy-5-propan-2-ylphenyl)methylamino]methanethiol
CID 115227896
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butanenitrile
CID 116931504
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
methyl 5-(2-methoxy-5-propan-2-ylphenyl)-3-oxopentanoate
CID 54410073
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine
CID 55041605
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine (CID 112513404) is 1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine is CNC(Cc1cc(C(C)C)ccc1OC)C(C)C.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine?
The InChIKey is IZLWNQVTNTZEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)13-7-8-16(18-6)14(9-13)10-15(17-5)12(3)4/h7-9,11-12,15,17H,10H2,1-6H3.
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine?
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 112513404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).