2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine

C19H25NO — CID 63815601

IUPAC2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCc1cc(CCN)ccc1Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C19H25NO/c1-13(2)18-7-6-17(12-14(18)3)21-19-8-5-16(9-10-20)11-15(19)4/h5-8,11-13H,9-10,20H2,1-4H3
InChIKeyCBAGIQUZOVAPNU-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.72
Rot. Bonds5

About 2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine

2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 63815601) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID63815601
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCc1cc(CCN)ccc1Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C19H25NO/c1-13(2)18-7-6-17(12-14(18)3)21-19-8-5-16(9-10-20)11-15(19)4/h5-8,11-13H,9-10,20H2,1-4H3
InChIKeyCBAGIQUZOVAPNU-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803808
1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
CID 177076482
2-[3-methyl-4-(4-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803669
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 43349562
2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107171074
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 115469223
5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 103590913
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine
CID 81326331
2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine
CID 107171085
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
CID 63802463

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine (CID 63815601) is 2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine is Cc1cc(CCN)ccc1Oc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is CBAGIQUZOVAPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13(2)18-7-6-17(12-14(18)3)21-19-8-5-16(9-10-20)11-15(19)4/h5-8,11-13H,9-10,20H2,1-4H3.
What are the key properties of 2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine?
2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63815601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).