(3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine

C18H18FNOS — CID 58630752

IUPAC(3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@@H](Oc1cc(F)cc2ccsc12)c1ccccc1
InChIInChI=1S/C18H18FNOS/c1-20-9-7-16(13-5-3-2-4-6-13)21-17-12-15(19)11-14-8-10-22-18(14)17/h2-6,8,10-12,16,20H,7,9H2,1H3/t16-/m1/s1
InChIKeyBRKOWVGTLLJGTL-MRXNPFEDSA-N
MW315.41 g/mol
LogP4.77
Rot. Bonds6

About (3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine

(3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine (PubChem CID 58630752) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is (3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine
PubChem CID58630752
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name(3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@@H](Oc1cc(F)cc2ccsc12)c1ccccc1
InChIInChI=1S/C18H18FNOS/c1-20-9-7-16(13-5-3-2-4-6-13)21-17-12-15(19)11-14-8-10-22-18(14)17/h2-6,8,10-12,16,20H,7,9H2,1H3/t16-/m1/s1
InChIKeyBRKOWVGTLLJGTL-MRXNPFEDSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine with MolForge

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Related Compounds

3-[(7-fluoro-1-benzothiophen-4-yl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 22171132
N-methyl-3-phenyl-3-(2,3,5-trifluoro-4-methylphenoxy)propan-1-amine
CID 87730579
3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 164613837
(3R)-N-methyl-3-phenyl-3-thieno[2,3-c]pyridin-4-yloxypropan-1-amine
CID 10382276
(3R)-3-(2-iodo-4-methylphenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 45262226
3-[5-chloro-2-(trifluoromethyl)phenoxy]-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 22489955
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine;oxalic acid
CID 12807456
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
N-methyl-3-phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenoxy)propan-1-amine;hydrochloride
CID 87836979
(3R)-N-methyl-3-phenyl-3-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenoxy]propan-1-amine;hydrochloride
CID 87836929
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of (3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine (CID 58630752) is (3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for (3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for (3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine is CNCC[C@@H](Oc1cc(F)cc2ccsc12)c1ccccc1.
What is the InChIKey of (3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine?
The InChIKey is BRKOWVGTLLJGTL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-20-9-7-16(13-5-3-2-4-6-13)21-17-12-15(19)11-14-8-10-22-18(14)17/h2-6,8,10-12,16,20H,7,9H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine?
(3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine has a molecular weight of 315.41 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58630752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).