1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine

C18H20ClNO — CID 104545220

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Cl)cc3c2OCC3)cc1C
InChIInChI=1S/C18H20ClNO/c1-11-3-4-13(7-12(11)2)8-17(20)16-10-15(19)9-14-5-6-21-18(14)16/h3-4,7,9-10,17H,5-6,8,20H2,1-2H3
InChIKeyXQCPPTGQWAJBHJ-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.13
Rot. Bonds3

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 104545220) 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)-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine
PubChem CID104545220
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Cl)cc3c2OCC3)cc1C
InChIInChI=1S/C18H20ClNO/c1-11-3-4-13(7-12(11)2)8-17(20)16-10-15(19)9-14-5-6-21-18(14)16/h3-4,7,9-10,17H,5-6,8,20H2,1-2H3
InChIKeyXQCPPTGQWAJBHJ-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanol
CID 104543207
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-chlorophenyl)ethanamine
CID 104545138
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine
CID 104545260
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,3-dimethylphenyl)ethanamine
CID 105031528
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 105031480
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538966
7-[1-bromo-2-(4-bromophenyl)ethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544050
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105031485
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
CID 114745163
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol
CID 104543138
ethyl 5-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylpentanoate
CID 104546100
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105178387

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine (CID 104545220) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine is Cc1ccc(CC(N)c2cc(Cl)cc3c2OCC3)cc1C.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is XQCPPTGQWAJBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-11-3-4-13(7-12(11)2)8-17(20)16-10-15(19)9-14-5-6-21-18(14)16/h3-4,7,9-10,17H,5-6,8,20H2,1-2H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine has a molecular weight of 301.82 g/mol, XLogP of 4.13, 3 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)-2-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 104545220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).