1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride

C17H17Cl2NO2 — CID 139710624

IUPAC1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1ccc(Cl)cc1C(N)c1cc2ccccc2o1.Cl
InChIInChI=1S/C17H16ClNO2.ClH/c1-2-20-15-8-7-12(18)10-13(15)17(19)16-9-11-5-3-4-6-14(11)21-16;/h3-10,17H,2,19H2,1H3;1H
InChIKeyYSNBIIQCRUAOSZ-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.95
Rot. Bonds4

About 1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride

1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride (PubChem CID 139710624) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride
PubChem CID139710624
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1ccc(Cl)cc1C(N)c1cc2ccccc2o1.Cl
InChIInChI=1S/C17H16ClNO2.ClH/c1-2-20-15-8-7-12(18)10-13(15)17(19)16-9-11-5-3-4-6-14(11)21-16;/h3-10,17H,2,19H2,1H3;1H
InChIKeyYSNBIIQCRUAOSZ-UHFFFAOYSA-N
XLogP4.95
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
CID 67752088
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride
CID 139710615
1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 105184741
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethanamine
CID 114729832
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
CID 105043963
[5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine
CID 67751602

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of 1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride (CID 139710624) is 1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for 1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for 1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride is CCOc1ccc(Cl)cc1C(N)c1cc2ccccc2o1.Cl.
What is the InChIKey of 1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride?
The InChIKey is YSNBIIQCRUAOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2.ClH/c1-2-20-15-8-7-12(18)10-13(15)17(19)16-9-11-5-3-4-6-14(11)21-16;/h3-10,17H,2,19H2,1H3;1H.
What are the key properties of 1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride?
1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride has a molecular weight of 338.23 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 139710624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).