(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine

C18H22FNO — CID 81352935

IUPAC(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-12-8-9-18(21-4)17(10-12)14(3)20-13(2)15-6-5-7-16(19)11-15/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1
InChIKeyDSFFCFSHSLPOCD-LSLKUGRBSA-N
MW287.38 g/mol
LogP4.55
Rot. Bonds5

About (1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine

(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine (PubChem CID 81352935) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
PubChem CID81352935
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-12-8-9-18(21-4)17(10-12)14(3)20-13(2)15-6-5-7-16(19)11-15/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1
InChIKeyDSFFCFSHSLPOCD-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

1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine
CID 43770232
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540
(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81371308
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43095447
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43406776
(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
1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 166237203
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81354278
(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol
CID 103784044

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine (CID 81352935) is (1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine is COc1ccc(C)cc1C(C)N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The InChIKey is DSFFCFSHSLPOCD-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-8-9-18(21-4)17(10-12)14(3)20-13(2)15-6-5-7-16(19)11-15/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-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 (1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81352935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).