[2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine

C14H13ClFNO — CID 114078570

IUPAC[2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2cc(F)cc(Cl)c2)c(CN)c1
InChIInChI=1S/C14H13ClFNO/c1-18-13-2-3-14(10(6-13)8-17)9-4-11(15)7-12(16)5-9/h2-7H,8,17H2,1H3
InChIKeyMNAOGAZIOPNIQH-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.61
Rot. Bonds3

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

[2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine (PubChem CID 114078570) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is [2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine
PubChem CID114078570
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name[2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2cc(F)cc(Cl)c2)c(CN)c1
InChIInChI=1S/C14H13ClFNO/c1-18-13-2-3-14(10(6-13)8-17)9-4-11(15)7-12(16)5-9/h2-7H,8,17H2,1H3
InChIKeyMNAOGAZIOPNIQH-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729193
[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
CID 66160491
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
CID 114078458
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837
1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene
CID 172652027
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818380
[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine
CID 173141464
[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 112749101
1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene
CID 173442446
[4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine
CID 172876806

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine?
The IUPAC name of [2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine (CID 114078570) is [2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine?
The canonical SMILES for [2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine is COc1ccc(-c2cc(F)cc(Cl)c2)c(CN)c1.
What is the InChIKey of [2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine?
The InChIKey is MNAOGAZIOPNIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-18-13-2-3-14(10(6-13)8-17)9-4-11(15)7-12(16)5-9/h2-7H,8,17H2,1H3.
What are the key properties of [2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine?
[2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine has a molecular weight of 265.72 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine is sourced from PubChem (CID 114078570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).