N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine

C24H25NO2 — CID 22391534

IUPACN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CNC(C)c2ccccc2)cc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C24H25NO2/c1-17(19-6-4-3-5-7-19)25-16-18-8-10-24(26-2)22(14-18)20-9-11-23-21(15-20)12-13-27-23/h3-11,14-15,17,25H,12-13,16H2,1-2H3
InChIKeyMEHPPZLMBARNEC-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.15
Rot. Bonds6

About N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine

N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine (PubChem CID 22391534) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine
PubChem CID22391534
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC NameN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CNC(C)c2ccccc2)cc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C24H25NO2/c1-17(19-6-4-3-5-7-19)25-16-18-8-10-24(26-2)22(14-18)20-9-11-23-21(15-20)12-13-27-23/h3-11,14-15,17,25H,12-13,16H2,1-2H3
InChIKeyMEHPPZLMBARNEC-UHFFFAOYSA-N
XLogP5.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine with MolForge

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Related Compounds

(1R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 94531089
(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 60945047
N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 20803287
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine
CID 105409478
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365243
(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
CID 10452724
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804139
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine
CID 61034297
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 22391215
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 78978115

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine (CID 22391534) is N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine is COc1ccc(CNC(C)c2ccccc2)cc1-c1ccc2c(c1)CCO2.
What is the InChIKey of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine?
The InChIKey is MEHPPZLMBARNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-17(19-6-4-3-5-7-19)25-16-18-8-10-24(26-2)22(14-18)20-9-11-23-21(15-20)12-13-27-23/h3-11,14-15,17,25H,12-13,16H2,1-2H3.
What are the key properties of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine?
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine has a molecular weight of 359.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 22391534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).