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

C14H14FNO — CID 54911914

IUPAC[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2cccc(F)c2)cc1CN
InChIInChI=1S/C14H14FNO/c1-17-14-6-5-11(7-12(14)9-16)10-3-2-4-13(15)8-10/h2-8H,9,16H2,1H3
InChIKeyPEFXQDAERMHPSY-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.96
Rot. Bonds3

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

[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine (PubChem CID 54911914) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
PubChem CID54911914
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2cccc(F)c2)cc1CN
InChIInChI=1S/C14H14FNO/c1-17-14-6-5-11(7-12(14)9-16)10-3-2-4-13(15)8-10/h2-8H,9,16H2,1H3
InChIKeyPEFXQDAERMHPSY-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 82106998
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
CID 54966138
[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 171037282
[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 172653750
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
CID 107289743
1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
CID 143262024
[2-(3-fluorophenyl)-5-propoxy-4-pyridinyl]methanamine
CID 132588928
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
3-(2-methoxy-5-phenylphenyl)propan-1-amine
CID 170867885

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-2-methoxyphenyl]methanamine?
The IUPAC name of [5-(3-fluorophenyl)-2-methoxyphenyl]methanamine (CID 54911914) is [5-(3-fluorophenyl)-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-(3-fluorophenyl)-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-(3-fluorophenyl)-2-methoxyphenyl]methanamine is COc1ccc(-c2cccc(F)c2)cc1CN.
What is the InChIKey of [5-(3-fluorophenyl)-2-methoxyphenyl]methanamine?
The InChIKey is PEFXQDAERMHPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-17-14-6-5-11(7-12(14)9-16)10-3-2-4-13(15)8-10/h2-8H,9,16H2,1H3.
What are the key properties of [5-(3-fluorophenyl)-2-methoxyphenyl]methanamine?
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine has a molecular weight of 231.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-2-methoxyphenyl]methanamine is sourced from PubChem (CID 54911914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).