[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine

C20H17ClFNO — CID 172653869

IUPAC[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
SMILESNCc1ccc(OCc2ccccc2)c(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C20H17ClFNO/c21-19-8-7-16(22)11-17(19)18-10-15(12-23)6-9-20(18)24-13-14-4-2-1-3-5-14/h1-11H,12-13,23H2
InChIKeyMPDIHAXMHCBIAA-UHFFFAOYSA-N
MW341.81 g/mol
LogP5.18
Rot. Bonds5

About [3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine

[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine (PubChem CID 172653869) has the molecular formula C20H17ClFNO and a molecular weight of 341.81 g/mol. Its IUPAC name is [3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
PubChem CID172653869
Molecular FormulaC20H17ClFNO
Molecular Weight341.81 g/mol
Exact Mass341.10
IUPAC Name[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
SMILESNCc1ccc(OCc2ccccc2)c(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C20H17ClFNO/c21-19-8-7-16(22)11-17(19)18-10-15(12-23)6-9-20(18)24-13-14-4-2-1-3-5-14/h1-11H,12-13,23H2
InChIKeyMPDIHAXMHCBIAA-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

2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508497
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
CID 39231998
[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
CID 176508500
(4-chloro-3-phenylphenyl)methanamine
CID 39231703
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine?
The IUPAC name of [3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine (CID 172653869) is [3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine.
What is the SMILES notation for [3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine?
The canonical SMILES for [3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine is NCc1ccc(OCc2ccccc2)c(-c2cc(F)ccc2Cl)c1.
What is the InChIKey of [3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine?
The InChIKey is MPDIHAXMHCBIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO/c21-19-8-7-16(22)11-17(19)18-10-15(12-23)6-9-20(18)24-13-14-4-2-1-3-5-14/h1-11H,12-13,23H2.
What are the key properties of [3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine?
[3-(2-chloro-5-fluorophenyl)-4-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 [3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine is sourced from PubChem (CID 172653869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).