N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine

C18H22FNO — CID 107717110

IUPACN-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCc2ccc(C)cc2)cc1F
InChIInChI=1S/C18H22FNO/c1-4-20-14(3)17-10-9-16(11-18(17)19)21-12-15-7-5-13(2)6-8-15/h5-11,14,20H,4,12H2,1-3H3
InChIKeyXUJVKGNYGTYWSL-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.38
Rot. Bonds6

About N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine

N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 107717110) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID107717110
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCc2ccc(C)cc2)cc1F
InChIInChI=1S/C18H22FNO/c1-4-20-14(3)17-10-9-16(11-18(17)19)21-12-15-7-5-13(2)6-8-15/h5-11,14,20H,4,12H2,1-3H3
InChIKeyXUJVKGNYGTYWSL-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524
N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine
CID 107717133
1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
CID 107717321
N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 107717423
N-[1-[2-fluoro-4-(thiophen-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 107717923
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640996

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine (CID 107717110) is N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine is CCNC(C)c1ccc(OCc2ccc(C)cc2)cc1F.
What is the InChIKey of N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is XUJVKGNYGTYWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-20-14(3)17-10-9-16(11-18(17)19)21-12-15-7-5-13(2)6-8-15/h5-11,14,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine?
N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107717110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).