1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine

C15H25NO — CID 117343739

IUPAC1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
SMILESCOc1c(C(C)C)cc(C(C)N)cc1C(C)C
InChIInChI=1S/C15H25NO/c1-9(2)13-7-12(11(5)16)8-14(10(3)4)15(13)17-6/h7-11H,16H2,1-6H3
InChIKeyJHOUDGZJPFDHSU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine

1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine (PubChem CID 117343739) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
PubChem CID117343739
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
SMILESCOc1c(C(C)C)cc(C(C)N)cc1C(C)C
InChIInChI=1S/C15H25NO/c1-9(2)13-7-12(11(5)16)8-14(10(3)4)15(13)17-6/h7-11H,16H2,1-6H3
InChIKeyJHOUDGZJPFDHSU-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959
4-methoxy-3,5-di(propan-2-yl)benzoic acid
CID 15895030
2,5-dimethoxy-3-propan-2-ylaniline
CID 84666265
2-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol
CID 117345630
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733
5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298695
N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine
CID 117347740
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 84706946
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine
CID 168513361
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine
CID 84681000
(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
CID 84665068

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine (CID 117343739) is 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine is COc1c(C(C)C)cc(C(C)N)cc1C(C)C.
What is the InChIKey of 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine?
The InChIKey is JHOUDGZJPFDHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-9(2)13-7-12(11(5)16)8-14(10(3)4)15(13)17-6/h7-11H,16H2,1-6H3.
What are the key properties of 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine?
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 117343739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).