[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine

C18H22FNO — CID 107879001

IUPAC[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(C(C)C)cc1OCc1ccc(F)c(CN)c1
InChIInChI=1S/C18H22FNO/c1-12(2)15-6-4-13(3)18(9-15)21-11-14-5-7-17(19)16(8-14)10-20/h4-9,12H,10-11,20H2,1-3H3
InChIKeyRVTWDXXKMCBMKZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.30
Rot. Bonds5

About [2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine

[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine (PubChem CID 107879001) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is [2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine
PubChem CID107879001
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(C(C)C)cc1OCc1ccc(F)c(CN)c1
InChIInChI=1S/C18H22FNO/c1-12(2)15-6-4-13(3)18(9-15)21-11-14-5-7-17(19)16(8-14)10-20/h4-9,12H,10-11,20H2,1-3H3
InChIKeyRVTWDXXKMCBMKZ-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350826
2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005014
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
3-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]aniline
CID 64767730
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879019
1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 81004752
[4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 169301996
[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733492
3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55076540
2-bromo-4-fluoro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 63458719
[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879103
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine (CID 107879001) is [2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine is Cc1ccc(C(C)C)cc1OCc1ccc(F)c(CN)c1.
What is the InChIKey of [2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The InChIKey is RVTWDXXKMCBMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)15-6-4-13(3)18(9-15)21-11-14-5-7-17(19)16(8-14)10-20/h4-9,12H,10-11,20H2,1-3H3.
What are the key properties of [2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine?
[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine has a molecular weight of 287.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 107879001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).