3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine

C15H25NO — CID 117343733

IUPAC3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
SMILESCOc1c(C)cc(C(C)CCN)cc1C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)14-9-13(11(3)6-7-16)8-12(4)15(14)17-5/h8-11H,6-7,16H2,1-5H3
InChIKeyZXKXDZDDUFVOJJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.58
Rot. Bonds5

About 3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine

3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine (PubChem CID 117343733) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
PubChem CID117343733
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
SMILESCOc1c(C)cc(C(C)CCN)cc1C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)14-9-13(11(3)6-7-16)8-12(4)15(14)17-5/h8-11H,6-7,16H2,1-5H3
InChIKeyZXKXDZDDUFVOJJ-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
CID 84665068
4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
CID 117299254
(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
3-(3-fluoro-4,5-dimethoxyphenyl)butan-1-amine
CID 117327114
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine
CID 84773685
(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 171231243
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
CID 117343739
2-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783199
(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171211631

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine (CID 117343733) is 3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine is COc1c(C)cc(C(C)CCN)cc1C(C)C.
What is the InChIKey of 3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine?
The InChIKey is ZXKXDZDDUFVOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)14-9-13(11(3)6-7-16)8-12(4)15(14)17-5/h8-11H,6-7,16H2,1-5H3.
What are the key properties of 3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine?
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 117343733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).