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

C18H23NO — CID 63803808

IUPAC2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCc1cc(CCN)ccc1Oc1ccccc1C(C)C
InChIInChI=1S/C18H23NO/c1-13(2)16-6-4-5-7-18(16)20-17-9-8-15(10-11-19)12-14(17)3/h4-9,12-13H,10-11,19H2,1-3H3
InChIKeyVGRVARLAXWSHKB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.41
Rot. Bonds5

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

2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 63803808) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID63803808
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCc1cc(CCN)ccc1Oc1ccccc1C(C)C
InChIInChI=1S/C18H23NO/c1-13(2)16-6-4-5-7-18(16)20-17-9-8-15(10-11-19)12-14(17)3/h4-9,12-13H,10-11,19H2,1-3H3
InChIKeyVGRVARLAXWSHKB-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]methanol
CID 62124011
2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63815601
[4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine
CID 63458562
2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803297
2-[6-(2-propan-2-ylphenoxy)-3-pyridinyl]ethanamine
CID 80640158
2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533374
2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
CID 63802463
4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene
CID 28947258
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
2-[3-(2-fluorophenoxy)-4-methylphenyl]ethanamine
CID 105410974
2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline
CID 115555233
2-[4-(5-bromo-2,3-difluorophenoxy)-3-methylphenyl]ethanamine
CID 107102003

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine (CID 63803808) is 2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine is Cc1cc(CCN)ccc1Oc1ccccc1C(C)C.
What is the InChIKey of 2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is VGRVARLAXWSHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)16-6-4-5-7-18(16)20-17-9-8-15(10-11-19)12-14(17)3/h4-9,12-13H,10-11,19H2,1-3H3.
What are the key properties of 2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine?
2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.41, 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-(2-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63803808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).