(1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine

C18H22FNO — CID 81347856

IUPAC(1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCOc1ccc(C(C)N[C@@H](C)c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-12-5-7-15(8-6-12)13(2)20-14(3)17-10-9-16(21-4)11-18(17)19/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1
InChIKeyVTYLYGBURHERRK-LSLKUGRBSA-N
MW287.38 g/mol
LogP4.55
Rot. Bonds5

About (1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine

(1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81347856) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is (1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
PubChem CID81347856
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name(1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCOc1ccc(C(C)N[C@@H](C)c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-12-5-7-15(8-6-12)13(2)20-14(3)17-10-9-16(21-4)11-18(17)19/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1
InChIKeyVTYLYGBURHERRK-LSLKUGRBSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81354025
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
(1S)-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367838
5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81367660
(1R)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82964495
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81351233

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine (CID 81347856) is (1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine is COc1ccc(C(C)N[C@@H](C)c2ccc(C)cc2)c(F)c1.
What is the InChIKey of (1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is VTYLYGBURHERRK-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-5-7-15(8-6-12)13(2)20-14(3)17-10-9-16(21-4)11-18(17)19/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1.
What are the key properties of (1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine?
(1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81347856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).