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

C17H21NO — CID 107663619

IUPAC[4-(4-butan-2-ylphenoxy)phenyl]methanamine
SMILESCCC(C)c1ccc(Oc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H21NO/c1-3-13(2)15-6-10-17(11-7-15)19-16-8-4-14(12-18)5-9-16/h4-11,13H,3,12,18H2,1-2H3
InChIKeyRGCHTNPEYZAFOH-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.45
Rot. Bonds5

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

[4-(4-butan-2-ylphenoxy)phenyl]methanamine (PubChem CID 107663619) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(4-butan-2-ylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-butan-2-ylphenoxy)phenyl]methanamine
PubChem CID107663619
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name[4-(4-butan-2-ylphenoxy)phenyl]methanamine
SMILESCCC(C)c1ccc(Oc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H21NO/c1-3-13(2)15-6-10-17(11-7-15)19-16-8-4-14(12-18)5-9-16/h4-11,13H,3,12,18H2,1-2H3
InChIKeyRGCHTNPEYZAFOH-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862
[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
CID 107666701
[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
CID 107663596
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
CID 131968930
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628
[3-bromo-4-[(4-butan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107668350
[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine
CID 107663612
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967

Frequently Asked Questions

What is the IUPAC name of [4-(4-butan-2-ylphenoxy)phenyl]methanamine?
The IUPAC name of [4-(4-butan-2-ylphenoxy)phenyl]methanamine (CID 107663619) is [4-(4-butan-2-ylphenoxy)phenyl]methanamine.
What is the SMILES notation for [4-(4-butan-2-ylphenoxy)phenyl]methanamine?
The canonical SMILES for [4-(4-butan-2-ylphenoxy)phenyl]methanamine is CCC(C)c1ccc(Oc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-(4-butan-2-ylphenoxy)phenyl]methanamine?
The InChIKey is RGCHTNPEYZAFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-13(2)15-6-10-17(11-7-15)19-16-8-4-14(12-18)5-9-16/h4-11,13H,3,12,18H2,1-2H3.
What are the key properties of [4-(4-butan-2-ylphenoxy)phenyl]methanamine?
[4-(4-butan-2-ylphenoxy)phenyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butan-2-ylphenoxy)phenyl]methanamine is sourced from PubChem (CID 107663619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).