N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine

C23H24FNO — CID 54803868

IUPACN-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C23H24FNO/c1-18(25-17-20-7-11-22(24)12-8-20)21-9-13-23(14-10-21)26-16-15-19-5-3-2-4-6-19/h2-14,18,25H,15-17H2,1H3
InChIKeyGOKXANFGWMWXQS-UHFFFAOYSA-N
MW349.45 g/mol
LogP5.30
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine

N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine (PubChem CID 54803868) has the molecular formula C23H24FNO and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine
PubChem CID54803868
Molecular FormulaC23H24FNO
Molecular Weight349.45 g/mol
Exact Mass349.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C23H24FNO/c1-18(25-17-20-7-11-22(24)12-8-20)21-9-13-23(14-10-21)26-16-15-19-5-3-2-4-6-19/h2-14,18,25H,15-17H2,1H3
InChIKeyGOKXANFGWMWXQS-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28623629
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54803862
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 113263052
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine (CID 54803868) is N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine is CC(NCc1ccc(F)cc1)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine?
The InChIKey is GOKXANFGWMWXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO/c1-18(25-17-20-7-11-22(24)12-8-20)21-9-13-23(14-10-21)26-16-15-19-5-3-2-4-6-19/h2-14,18,25H,15-17H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine?
N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine has a molecular weight of 349.45 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine is sourced from PubChem (CID 54803868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).