[4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine

C18H23NO — CID 63458562

IUPAC[4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine
SMILESCCC(C)c1ccccc1Oc1ccc(CN)cc1C
InChIInChI=1S/C18H23NO/c1-4-13(2)16-7-5-6-8-18(16)20-17-10-9-15(12-19)11-14(17)3/h5-11,13H,4,12,19H2,1-3H3
InChIKeyQGFWUYKNASECJQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.76
Rot. Bonds5

About [4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine

[4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine (PubChem CID 63458562) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine
PubChem CID63458562
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine
SMILESCCC(C)c1ccccc1Oc1ccc(CN)cc1C
InChIInChI=1S/C18H23NO/c1-4-13(2)16-7-5-6-8-18(16)20-17-10-9-15(12-19)11-14(17)3/h5-11,13H,4,12,19H2,1-3H3
InChIKeyQGFWUYKNASECJQ-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

2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803808
[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]methanamine
CID 114889865
[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]methanol
CID 62124011
4-(bromomethyl)-1-(2-butan-2-ylphenoxy)-2-chlorobenzene
CID 107087329
[3-bromo-4-[(2-butan-2-ylphenoxy)methyl]phenyl]methanamine
CID 102773238
[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097824
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904
(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol
CID 63541276
(1R)-1-[4-(2-butan-2-ylphenoxy)-3-fluorophenyl]ethanamine
CID 63369801
1-[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 82959280
[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 63457064
1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine
CID 63803633

Frequently Asked Questions

What is the IUPAC name of [4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine?
The IUPAC name of [4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine (CID 63458562) is [4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine is CCC(C)c1ccccc1Oc1ccc(CN)cc1C.
What is the InChIKey of [4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine?
The InChIKey is QGFWUYKNASECJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-13(2)16-7-5-6-8-18(16)20-17-10-9-15(12-19)11-14(17)3/h5-11,13H,4,12,19H2,1-3H3.
What are the key properties of [4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine?
[4-(2-butan-2-ylphenoxy)-3-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-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine is sourced from PubChem (CID 63458562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).