[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine

C18H22FNO — CID 28966135

IUPAC[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine
SMILESCCC(C)(C)c1ccc(Oc2ccc(CN)cc2F)cc1
InChIInChI=1S/C18H22FNO/c1-4-18(2,3)14-6-8-15(9-7-14)21-17-10-5-13(12-20)11-16(17)19/h5-11H,4,12,20H2,1-3H3
InChIKeyKIXUQJJFPMZNKI-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.76
Rot. Bonds5

About [3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine

[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine (PubChem CID 28966135) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is [3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine
PubChem CID28966135
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine
SMILESCCC(C)(C)c1ccc(Oc2ccc(CN)cc2F)cc1
InChIInChI=1S/C18H22FNO/c1-4-18(2,3)14-6-8-15(9-7-14)21-17-10-5-13(12-20)11-16(17)19/h5-11H,4,12,20H2,1-3H3
InChIKeyKIXUQJJFPMZNKI-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]benzonitrile
CID 43657444
[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61227389
1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]propan-1-one
CID 162250472
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
[3-bromo-4-(4-tert-butylphenoxy)phenyl]methanamine
CID 82798328
3,5-difluoro-4-[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 63457086
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 105406659
2,4-bis[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 20504800
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
5-bromo-2-[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 26190475
4-chloro-2-[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 115469228
[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine
CID 66259187

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine (CID 28966135) is [3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine is CCC(C)(C)c1ccc(Oc2ccc(CN)cc2F)cc1.
What is the InChIKey of [3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine?
The InChIKey is KIXUQJJFPMZNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-18(2,3)14-6-8-15(9-7-14)21-17-10-5-13(12-20)11-16(17)19/h5-11H,4,12,20H2,1-3H3.
What are the key properties of [3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine?
[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine has a molecular weight of 287.38 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 [3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine is sourced from PubChem (CID 28966135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).