(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine

C17H20FNO — CID 81350523

IUPAC(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
SMILESCOc1ccc(C(C)N[C@@H](C)c2ccccc2)cc1F
InChIInChI=1S/C17H20FNO/c1-12(14-7-5-4-6-8-14)19-13(2)15-9-10-17(20-3)16(18)11-15/h4-13,19H,1-3H3/t12-,13?/m0/s1
InChIKeyFCIIORASKNDTIU-UEWDXFNNSA-N
MW273.35 g/mol
LogP4.25
Rot. Bonds5

About (1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine

(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine (PubChem CID 81350523) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
PubChem CID81350523
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
SMILESCOc1ccc(C(C)N[C@@H](C)c2ccccc2)cc1F
InChIInChI=1S/C17H20FNO/c1-12(14-7-5-4-6-8-14)19-13(2)15-9-10-17(20-3)16(18)11-15/h4-13,19H,1-3H3/t12-,13?/m0/s1
InChIKeyFCIIORASKNDTIU-UEWDXFNNSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
CID 43724000
(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-3-en-2-amine
CID 115727846
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 102976328
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine (CID 81350523) is (1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine is COc1ccc(C(C)N[C@@H](C)c2ccccc2)cc1F.
What is the InChIKey of (1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine?
The InChIKey is FCIIORASKNDTIU-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12(14-7-5-4-6-8-14)19-13(2)15-9-10-17(20-3)16(18)11-15/h4-13,19H,1-3H3/t12-,13?/m0/s1.
What are the key properties of (1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine?
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 81350523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).