1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine

C18H20ClNO — CID 104545460

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C18H20ClNO/c1-12-5-3-4-6-13(12)10-17(20-2)16-11-15(19)9-14-7-8-21-18(14)16/h3-6,9,11,17,20H,7-8,10H2,1-2H3
InChIKeyRGZLZWTXFOJLOB-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.09
Rot. Bonds4

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine (PubChem CID 104545460) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine
PubChem CID104545460
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C18H20ClNO/c1-12-5-3-4-6-13(12)10-17(20-2)16-11-15(19)9-14-7-8-21-18(14)16/h3-6,9,11,17,20H,7-8,10H2,1-2H3
InChIKeyRGZLZWTXFOJLOB-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789934
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745177
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208501
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-1-amine
CID 104545544
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 104545535
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 105031463
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 105031480
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444356
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104545449
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 104545551
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethanamine
CID 114745152

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine (CID 104545460) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine is CNC(Cc1ccccc1C)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
The InChIKey is RGZLZWTXFOJLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-5-3-4-6-13(12)10-17(20-2)16-11-15(19)9-14-7-8-21-18(14)16/h3-6,9,11,17,20H,7-8,10H2,1-2H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine has a molecular weight of 301.82 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 104545460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).