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

C18H22FNO — CID 81354025

IUPAC1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
SMILESCOc1ccc(C(C)N[C@@H](C)c2ccccc2C)c(F)c1
InChIInChI=1S/C18H22FNO/c1-12-7-5-6-8-16(12)13(2)20-14(3)17-10-9-15(21-4)11-18(17)19/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1
InChIKeyIAUDTBDIWYZDKZ-LSLKUGRBSA-N
MW287.38 g/mol
LogP4.55
Rot. Bonds5

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

1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine (PubChem CID 81354025) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
PubChem CID81354025
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
SMILESCOc1ccc(C(C)N[C@@H](C)c2ccccc2C)c(F)c1
InChIInChI=1S/C18H22FNO/c1-12-7-5-6-8-16(12)13(2)20-14(3)17-10-9-15(21-4)11-18(17)19/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1
InChIKeyIAUDTBDIWYZDKZ-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

(1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347856
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81374819
(1R)-1-(3-methoxyphenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81376128
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 115707420
1-(4-fluoro-3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 83059000
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
1-(2-fluoro-4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]ethanamine
CID 75428184
(1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine
CID 97322511
1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305698

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine (CID 81354025) is 1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine is COc1ccc(C(C)N[C@@H](C)c2ccccc2C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is IAUDTBDIWYZDKZ-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-7-5-6-8-16(12)13(2)20-14(3)17-10-9-15(21-4)11-18(17)19/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]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 1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81354025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).