[5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine

C21H20FNO2 — CID 172650029

IUPAC[5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine
SMILESCOc1ccc(-c2ccc(OCc3ccccc3)c(CN)c2)c(F)c1
InChIInChI=1S/C21H20FNO2/c1-24-18-8-9-19(20(22)12-18)16-7-10-21(17(11-16)13-23)25-14-15-5-3-2-4-6-15/h2-12H,13-14,23H2,1H3
InChIKeyZMRFSUNSBJFOSK-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.54
Rot. Bonds6

About [5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine

[5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine (PubChem CID 172650029) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is [5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine
PubChem CID172650029
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name[5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine
SMILESCOc1ccc(-c2ccc(OCc3ccccc3)c(CN)c2)c(F)c1
InChIInChI=1S/C21H20FNO2/c1-24-18-8-9-19(20(22)12-18)16-7-10-21(17(11-16)13-23)25-14-15-5-3-2-4-6-15/h2-12H,13-14,23H2,1H3
InChIKeyZMRFSUNSBJFOSK-UHFFFAOYSA-N
XLogP4.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine
CID 172650028
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670
[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172650045
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline
CID 169408820
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62697998
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine?
The IUPAC name of [5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine (CID 172650029) is [5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine.
What is the SMILES notation for [5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine?
The canonical SMILES for [5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine is COc1ccc(-c2ccc(OCc3ccccc3)c(CN)c2)c(F)c1.
What is the InChIKey of [5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine?
The InChIKey is ZMRFSUNSBJFOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-24-18-8-9-19(20(22)12-18)16-7-10-21(17(11-16)13-23)25-14-15-5-3-2-4-6-15/h2-12H,13-14,23H2,1H3.
What are the key properties of [5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine?
[5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine has a molecular weight of 337.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine is sourced from PubChem (CID 172650029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).