N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine

C19H23NO — CID 43489895

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)c1cccc(C)c1C
InChIInChI=1S/C19H23NO/c1-4-20-19(17-7-5-6-13(2)14(17)3)16-8-9-18-15(12-16)10-11-21-18/h5-9,12,19-20H,4,10-11H2,1-3H3
InChIKeyCEEPQLKBXVLGJH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.94
Rot. Bonds4

About N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine

N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 43489895) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID43489895
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)c1cccc(C)c1C
InChIInChI=1S/C19H23NO/c1-4-20-19(17-7-5-6-13(2)14(17)3)16-8-9-18-15(12-16)10-11-21-18/h5-9,12,19-20H,4,10-11H2,1-3H3
InChIKeyCEEPQLKBXVLGJH-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 107981919
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
N-[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63209957
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine
CID 105333920
N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 79981650
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
N-[(3-chloro-4-iodophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 103216192
N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43489829
N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine
CID 61026469
N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine
CID 43495451
N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105180121

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine (CID 43489895) is N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc2c(c1)CCO2)c1cccc(C)c1C.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is CEEPQLKBXVLGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-20-19(17-7-5-6-13(2)14(17)3)16-8-9-18-15(12-16)10-11-21-18/h5-9,12,19-20H,4,10-11H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43489895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).