[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine

C18H23NO2 — CID 107663612

IUPAC[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine
SMILESCCC(C)c1ccc(Oc2cc(OC)ccc2CN)cc1
InChIInChI=1S/C18H23NO2/c1-4-13(2)14-5-8-16(9-6-14)21-18-11-17(20-3)10-7-15(18)12-19/h5-11,13H,4,12,19H2,1-3H3
InChIKeyZSSYQQDCQLWIMD-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.46
Rot. Bonds6

About [2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine

[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine (PubChem CID 107663612) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine
PubChem CID107663612
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine
SMILESCCC(C)c1ccc(Oc2cc(OC)ccc2CN)cc1
InChIInChI=1S/C18H23NO2/c1-4-13(2)14-5-8-16(9-6-14)21-18-11-17(20-3)10-7-15(18)12-19/h5-11,13H,4,12,19H2,1-3H3
InChIKeyZSSYQQDCQLWIMD-UHFFFAOYSA-N
XLogP4.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
CID 107663596
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
[4-chloro-2-(4-propan-2-ylphenoxy)phenyl]methanamine
CID 63456564
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
[2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol
CID 107665830
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
(4-methoxy-2-pyridin-3-yloxyphenyl)methanamine
CID 81299641
[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
CID 81298813
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 107668185
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207

Frequently Asked Questions

What is the IUPAC name of [2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine (CID 107663612) is [2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine is CCC(C)c1ccc(Oc2cc(OC)ccc2CN)cc1.
What is the InChIKey of [2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine?
The InChIKey is ZSSYQQDCQLWIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-13(2)14-5-8-16(9-6-14)21-18-11-17(20-3)10-7-15(18)12-19/h5-11,13H,4,12,19H2,1-3H3.
What are the key properties of [2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine?
[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 107663612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).