[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine

C18H22FNO — CID 43169661

IUPAC[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
SMILESCC(C)(C)c1cccc(OCc2cc(CN)ccc2F)c1
InChIInChI=1S/C18H22FNO/c1-18(2,3)15-5-4-6-16(10-15)21-12-14-9-13(11-20)7-8-17(14)19/h4-10H,11-12,20H2,1-3H3
InChIKeyYQFDUCWGLPRONL-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.16
Rot. Bonds4

About [3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine

[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine (PubChem CID 43169661) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is [3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
PubChem CID43169661
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
SMILESCC(C)(C)c1cccc(OCc2cc(CN)ccc2F)c1
InChIInChI=1S/C18H22FNO/c1-18(2,3)15-5-4-6-16(10-15)21-12-14-9-13(11-20)7-8-17(14)19/h4-10H,11-12,20H2,1-3H3
InChIKeyYQFDUCWGLPRONL-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 29282707
[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531140
[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
CID 43169662
2-[3-[(2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 146264019
[3-[(4-bromo-3-methylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 83134024
[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531350
[4-fluoro-3-[(2-fluoro-3-methylphenoxy)methyl]phenyl]methanamine
CID 107656549
[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
CID 107879028
[4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 28996271
[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43364228
[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
CID 103289061
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480

Frequently Asked Questions

What is the IUPAC name of [3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine?
The IUPAC name of [3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine (CID 43169661) is [3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine is CC(C)(C)c1cccc(OCc2cc(CN)ccc2F)c1.
What is the InChIKey of [3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine?
The InChIKey is YQFDUCWGLPRONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-18(2,3)15-5-4-6-16(10-15)21-12-14-9-13(11-20)7-8-17(14)19/h4-10H,11-12,20H2,1-3H3.
What are the key properties of [3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine?
[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine has a molecular weight of 287.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 43169661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).