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

C18H23NO — CID 107663596

IUPAC[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
SMILESCCC(C)c1ccc(Oc2ccc(CN)c(C)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-13(2)15-5-8-17(9-6-15)20-18-10-7-16(12-19)14(3)11-18/h5-11,13H,4,12,19H2,1-3H3
InChIKeyJOUKSRQQVOOAGI-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.76
Rot. Bonds5

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

[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine (PubChem CID 107663596) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
PubChem CID107663596
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
SMILESCCC(C)c1ccc(Oc2ccc(CN)c(C)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-13(2)15-5-8-17(9-6-15)20-18-10-7-16(12-19)14(3)11-18/h5-11,13H,4,12,19H2,1-3H3
InChIKeyJOUKSRQQVOOAGI-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine
CID 107663612
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 107668185
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628
[2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107664056
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862
ethyl 3-[4-[(2R)-butan-2-yl]phenoxy]benzoate
CID 7100431
2-amino-5-(4-butan-2-ylphenoxy)benzoic acid
CID 107667442
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
CID 107666701

Frequently Asked Questions

What is the IUPAC name of [4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine?
The IUPAC name of [4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine (CID 107663596) is [4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine?
The canonical SMILES for [4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine is CCC(C)c1ccc(Oc2ccc(CN)c(C)c2)cc1.
What is the InChIKey of [4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine?
The InChIKey is JOUKSRQQVOOAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-13(2)15-5-8-17(9-6-15)20-18-10-7-16(12-19)14(3)11-18/h5-11,13H,4,12,19H2,1-3H3.
What are the key properties of [4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine?
[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.76, 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)-2-methylphenyl]methanamine is sourced from PubChem (CID 107663596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).