[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine

C18H22FNO — CID 102814455

IUPAC[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine
SMILESCc1ccc(Oc2cc(F)cc(CN)c2)c(C(C)(C)C)c1
InChIInChI=1S/C18H22FNO/c1-12-5-6-17(16(7-12)18(2,3)4)21-15-9-13(11-20)8-14(19)10-15/h5-10H,11,20H2,1-4H3
InChIKeyWQONBGFTMGRTGX-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.68
Rot. Bonds3

About [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine

[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine (PubChem CID 102814455) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine
PubChem CID102814455
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine
SMILESCc1ccc(Oc2cc(F)cc(CN)c2)c(C(C)(C)C)c1
InChIInChI=1S/C18H22FNO/c1-12-5-6-17(16(7-12)18(2,3)4)21-15-9-13(11-20)8-14(19)10-15/h5-10H,11,20H2,1-4H3
InChIKeyWQONBGFTMGRTGX-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol
CID 106530108
[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine
CID 22688671
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
3-[(2-tert-butyl-4-methylphenoxy)methyl]-5-fluoroaniline
CID 115980160
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
CID 106530632
[3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine
CID 62674098
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene
CID 106530613
[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
CID 164885137
[3-fluoro-5-(4-fluoro-2-nitrophenoxy)phenyl]methanamine
CID 106531299
[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 106531191

Frequently Asked Questions

What is the IUPAC name of [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine?
The IUPAC name of [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine (CID 102814455) is [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine is Cc1ccc(Oc2cc(F)cc(CN)c2)c(C(C)(C)C)c1.
What is the InChIKey of [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine?
The InChIKey is WQONBGFTMGRTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-5-6-17(16(7-12)18(2,3)4)21-15-9-13(11-20)8-14(19)10-15/h5-10H,11,20H2,1-4H3.
What are the key properties of [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine?
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine has a molecular weight of 287.38 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine is sourced from PubChem (CID 102814455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).