N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine

C17H20FN — CID 43078764

IUPACN-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCCc1ccc(CNC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN/c1-3-14-4-6-15(7-5-14)12-19-13(2)16-8-10-17(18)11-9-16/h4-11,13,19H,3,12H2,1-2H3
InChIKeyCEYANCBGIFAWKZ-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.24
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine

N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 43078764) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID43078764
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCCc1ccc(CNC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN/c1-3-14-4-6-15(7-5-14)12-19-13(2)16-8-10-17(18)11-9-16/h4-11,13,19H,3,12H2,1-2H3
InChIKeyCEYANCBGIFAWKZ-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 28623639
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
(1R)-1-(4-fluorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437945
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 79710098
2-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetic acid
CID 103257154

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine (CID 43078764) is N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine is CCc1ccc(CNC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is CEYANCBGIFAWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-14-4-6-15(7-5-14)12-19-13(2)16-8-10-17(18)11-9-16/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43078764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).