(1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine

C19H21NO3S — CID 97031434

IUPAC(1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine
SMILESCOc1cccc2cc([C@@H](C)NCc3ccc([S@@](C)=O)cc3)oc12
InChIInChI=1S/C19H21NO3S/c1-13(20-12-14-7-9-16(10-8-14)24(3)21)18-11-15-5-4-6-17(22-2)19(15)23-18/h4-11,13,20H,12H2,1-3H3/t13-,24-/m1/s1
InChIKeyMJVYCTUFHLBTKM-YEBMWUKDSA-N
MW343.45 g/mol
LogP4.03
Rot. Bonds6

About (1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine

(1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine (PubChem CID 97031434) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine
PubChem CID97031434
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name(1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine
SMILESCOc1cccc2cc([C@@H](C)NCc3ccc([S@@](C)=O)cc3)oc12
InChIInChI=1S/C19H21NO3S/c1-13(20-12-14-7-9-16(10-8-14)24(3)21)18-11-15-5-4-6-17(22-2)19(15)23-18/h4-11,13,20H,12H2,1-3H3/t13-,24-/m1/s1
InChIKeyMJVYCTUFHLBTKM-YEBMWUKDSA-N
XLogP4.03
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine with MolForge

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Related Compounds

1-(7-methoxy-1-benzofuran-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014584
1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 104578623
1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60979032
3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104578626
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 43244143
(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]hex-5-yn-1-amine
CID 103921979
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115905866
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine
CID 115906657
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine (CID 97031434) is (1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine is COc1cccc2cc([C@@H](C)NCc3ccc([S@@](C)=O)cc3)oc12.
What is the InChIKey of (1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine?
The InChIKey is MJVYCTUFHLBTKM-YEBMWUKDSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-13(20-12-14-7-9-16(10-8-14)24(3)21)18-11-15-5-4-6-17(22-2)19(15)23-18/h4-11,13,20H,12H2,1-3H3/t13-,24-/m1/s1.
What are the key properties of (1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine?
(1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine has a molecular weight of 343.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 97031434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).