[5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine

C20H17ClFNO — CID 172650028

IUPAC[5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine
SMILESNCc1cc(-c2ccc(Cl)cc2F)ccc1OCc1ccccc1
InChIInChI=1S/C20H17ClFNO/c21-17-7-8-18(19(22)11-17)15-6-9-20(16(10-15)12-23)24-13-14-4-2-1-3-5-14/h1-11H,12-13,23H2
InChIKeyDQYOVXXWZLRADF-UHFFFAOYSA-N
MW341.81 g/mol
LogP5.18
Rot. Bonds5

About [5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine

[5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine (PubChem CID 172650028) has the molecular formula C20H17ClFNO and a molecular weight of 341.81 g/mol. Its IUPAC name is [5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine
PubChem CID172650028
Molecular FormulaC20H17ClFNO
Molecular Weight341.81 g/mol
Exact Mass341.10
IUPAC Name[5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine
SMILESNCc1cc(-c2ccc(Cl)cc2F)ccc1OCc1ccccc1
InChIInChI=1S/C20H17ClFNO/c21-17-7-8-18(19(22)11-17)15-6-9-20(16(10-15)12-23)24-13-14-4-2-1-3-5-14/h1-11H,12-13,23H2
InChIKeyDQYOVXXWZLRADF-UHFFFAOYSA-N
XLogP5.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.81
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine
CID 172650029
4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile
CID 175686449
[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172650045
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
4-(2-fluorophenyl)-2-phenylmethoxyaniline
CID 171921752
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
CID 176508500
[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508497
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
[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

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine?
The IUPAC name of [5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine (CID 172650028) is [5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine.
What is the SMILES notation for [5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine?
The canonical SMILES for [5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine is NCc1cc(-c2ccc(Cl)cc2F)ccc1OCc1ccccc1.
What is the InChIKey of [5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine?
The InChIKey is DQYOVXXWZLRADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO/c21-17-7-8-18(19(22)11-17)15-6-9-20(16(10-15)12-23)24-13-14-4-2-1-3-5-14/h1-11H,12-13,23H2.
What are the key properties of [5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine?
[5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine has a molecular weight of 341.81 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine is sourced from PubChem (CID 172650028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).