[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine

C18H23NO — CID 105406659

IUPAC[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H23NO/c1-13-5-6-14(12-19)11-17(13)20-16-9-7-15(8-10-16)18(2,3)4/h5-11H,12,19H2,1-4H3
InChIKeySKLCAPMWCSVHMH-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.54
Rot. Bonds3

About [3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine

[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine (PubChem CID 105406659) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
PubChem CID105406659
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H23NO/c1-13-5-6-14(12-19)11-17(13)20-16-9-7-15(8-10-16)18(2,3)4/h5-11H,12,19H2,1-4H3
InChIKeySKLCAPMWCSVHMH-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-bromophenoxy)-4-methylphenyl]methanamine
CID 105406673
[3-bromo-4-(4-tert-butylphenoxy)phenyl]methanamine
CID 82798328
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 63456891
[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 105407437
(3-tert-butyl-4-methylphenyl)methanamine
CID 59108911
[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine
CID 28966135
4-(5-tert-butyl-2-methylphenoxy)benzonitrile
CID 140898828
[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 20986827
2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine
CID 107171085
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
CID 105407420

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine?
The IUPAC name of [3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine (CID 105406659) is [3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine is Cc1ccc(CN)cc1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of [3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine?
The InChIKey is SKLCAPMWCSVHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-5-6-14(12-19)11-17(13)20-16-9-7-15(8-10-16)18(2,3)4/h5-11H,12,19H2,1-4H3.
What are the key properties of [3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine?
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 105406659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).