1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine

C15H25NO — CID 55041605

IUPAC1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(CCc1cc(C)ccc1OC)C(C)C
InChIInChI=1S/C15H25NO/c1-11(2)14(16-4)8-7-13-10-12(3)6-9-15(13)17-5/h6,9-11,14,16H,7-8H2,1-5H3
InChIKeyDUJIKAIGYLXJCG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine

1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine (PubChem CID 55041605) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine
PubChem CID55041605
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(CCc1cc(C)ccc1OC)C(C)C
InChIInChI=1S/C15H25NO/c1-11(2)14(16-4)8-7-13-10-12(3)6-9-15(13)17-5/h6,9-11,14,16H,7-8H2,1-5H3
InChIKeyDUJIKAIGYLXJCG-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methoxy-5-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303647
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050
2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene
CID 64509437
4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 83933089
5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
CID 62160648
N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 60744416
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine
CID 112513404
1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 63400119

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine (CID 55041605) is 1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine is CNC(CCc1cc(C)ccc1OC)C(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine?
The InChIKey is DUJIKAIGYLXJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)14(16-4)8-7-13-10-12(3)6-9-15(13)17-5/h6,9-11,14,16H,7-8H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine?
1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.18, 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-methylphenyl)-N,4-dimethylpentan-3-amine is sourced from PubChem (CID 55041605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).