(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine

C16H18FNO — CID 43198335

IUPAC(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine
SMILESCOCCc1ccc(C(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO/c1-19-11-10-12-2-4-13(5-3-12)16(18)14-6-8-15(17)9-7-14/h2-9,16H,10-11,18H2,1H3
InChIKeyZJPUIXOIMPSPME-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.06
Rot. Bonds5

About (4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine

(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine (PubChem CID 43198335) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine
PubChem CID43198335
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine
SMILESCOCCc1ccc(C(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO/c1-19-11-10-12-2-4-13(5-3-12)16(18)14-6-8-15(17)9-7-14/h2-9,16H,10-11,18H2,1H3
InChIKeyZJPUIXOIMPSPME-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
1-[bromo-(4-fluorophenyl)methyl]-4-(2-methoxyethyl)benzene
CID 61096683
furan-2-yl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43464362
(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 81323781
1,3-benzodioxol-5-yl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198322
bis(4-fluorophenyl)methanamine
CID 10955039
1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43198365
1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene
CID 61085120
(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 55136672
(5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43384444
[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine
CID 79803069
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine?
The IUPAC name of (4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine (CID 43198335) is (4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine.
What is the SMILES notation for (4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine?
The canonical SMILES for (4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine is COCCc1ccc(C(N)c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine?
The InChIKey is ZJPUIXOIMPSPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-19-11-10-12-2-4-13(5-3-12)16(18)14-6-8-15(17)9-7-14/h2-9,16H,10-11,18H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine?
(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine has a molecular weight of 259.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine is sourced from PubChem (CID 43198335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).