(1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine

C18H19NO2 — CID 81354737

IUPAC(1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NCc2coc3ccccc23)c1
InChIInChI=1S/C18H19NO2/c1-13(14-6-5-7-16(10-14)20-2)19-11-15-12-21-18-9-4-3-8-17(15)18/h3-10,12-13,19H,11H2,1-2H3/t13-/m0/s1
InChIKeyIAORCGBXGPPCKH-ZDUSSCGKSA-N
MW281.36 g/mol
LogP4.29
Rot. Bonds5

About (1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine

(1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 81354737) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID81354737
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NCc2coc3ccccc23)c1
InChIInChI=1S/C18H19NO2/c1-13(14-6-5-7-16(10-14)20-2)19-11-15-12-21-18-9-4-3-8-17(15)18/h3-10,12-13,19H,11H2,1-2H3/t13-/m0/s1
InChIKeyIAORCGBXGPPCKH-ZDUSSCGKSA-N
XLogP4.29
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(1-benzofuran-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404411
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
(1R)-N-(1-benzofuran-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 81354686
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 60944540
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81381224
3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 103258080
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376151
(1S)-N-[(2,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81375876
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine (CID 81354737) is (1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@H](C)NCc2coc3ccccc23)c1.
What is the InChIKey of (1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is IAORCGBXGPPCKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(14-6-5-7-16(10-14)20-2)19-11-15-12-21-18-9-4-3-8-17(15)18/h3-10,12-13,19H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
(1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81354737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).