1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine

C19H24FNO3S — CID 166237203

IUPAC1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
SMILESCOc1ccc(C)cc1[C@@H](C)NC(C)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C19H24FNO3S/c1-12-6-8-18(24-4)16(10-12)14(3)21-13(2)15-7-9-19(17(20)11-15)25(5,22)23/h6-11,13-14,21H,1-5H3/t13?,14-/m1/s1
InChIKeyHNZNFSHAQDAVHG-ARLHGKGLSA-N
MW365.47 g/mol
LogP3.96
Rot. Bonds6

About 1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine

1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine (PubChem CID 166237203) has the molecular formula C19H24FNO3S and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
PubChem CID166237203
Molecular FormulaC19H24FNO3S
Molecular Weight365.47 g/mol
Exact Mass365.15
IUPAC Name1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
SMILESCOc1ccc(C)cc1[C@@H](C)NC(C)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C19H24FNO3S/c1-12-6-8-18(24-4)16(10-12)14(3)21-13(2)15-7-9-19(17(20)11-15)25(5,22)23/h6-11,13-14,21H,1-5H3/t13?,14-/m1/s1
InChIKeyHNZNFSHAQDAVHG-ARLHGKGLSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81352935
(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405947
(1S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81404842
(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81371308
(1R)-1-(3-methoxy-4-methylsulfonylphenyl)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 97229251
2-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 46567252
1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
CID 115889898
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-methylsulfonylbutan-2-amine
CID 97323733
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122
methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate
CID 124640418

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine (CID 166237203) is 1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine is COc1ccc(C)cc1[C@@H](C)NC(C)c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The InChIKey is HNZNFSHAQDAVHG-ARLHGKGLSA-N. The full InChI is InChI=1S/C19H24FNO3S/c1-12-6-8-18(24-4)16(10-12)14(3)21-13(2)15-7-9-19(17(20)11-15)25(5,22)23/h6-11,13-14,21H,1-5H3/t13?,14-/m1/s1.
What are the key properties of 1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine has a molecular weight of 365.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 166237203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).