1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine

C15H25NO — CID 116715583

IUPAC1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(Cc1cc(C)ccc1C)NC
InChIInChI=1S/C15H25NO/c1-6-15(17-5)14(16-4)10-13-9-11(2)7-8-12(13)3/h7-9,14-16H,6,10H2,1-5H3
InChIKeyOZKWWUGHYVWTPR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.86
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine

1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine (PubChem CID 116715583) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine
PubChem CID116715583
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(Cc1cc(C)ccc1C)NC
InChIInChI=1S/C15H25NO/c1-6-15(17-5)14(16-4)10-13-9-11(2)7-8-12(13)3/h7-9,14-16H,6,10H2,1-5H3
InChIKeyOZKWWUGHYVWTPR-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine
CID 105374363
1-(2,5-dimethylphenyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 104519964
1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715352
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 61481786
1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine
CID 112754817
1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine
CID 114977590
1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715433
3-(2,5-dimethylphenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495019
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
dimethyl 2-[(2,5-dimethylphenyl)methyl]propanedioate
CID 94268846
3-(2,5-dimethylphenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115802743

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine (CID 116715583) is 1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine is CCC(OC)C(Cc1cc(C)ccc1C)NC.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine?
The InChIKey is OZKWWUGHYVWTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-15(17-5)14(16-4)10-13-9-11(2)7-8-12(13)3/h7-9,14-16H,6,10H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine?
1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine is sourced from PubChem (CID 116715583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).