(5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride

C17H17Cl2NO2 — CID 139710615

IUPAC(5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1C(N)c1cc2c(C)cccc2o1.Cl
InChIInChI=1S/C17H16ClNO2.ClH/c1-10-4-3-5-15-12(10)9-16(21-15)17(19)13-8-11(18)6-7-14(13)20-2;/h3-9,17H,19H2,1-2H3;1H
InChIKeyRRMWQHONSKRXLC-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.87
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride

(5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride (PubChem CID 139710615) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride
PubChem CID139710615
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name(5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1C(N)c1cc2c(C)cccc2o1.Cl
InChIInChI=1S/C17H16ClNO2.ClH/c1-10-4-3-5-15-12(10)9-16(21-15)17(19)13-8-11(18)6-7-14(13)20-2;/h3-9,17H,19H2,1-2H3;1H
InChIKeyRRMWQHONSKRXLC-UHFFFAOYSA-N
XLogP4.87
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride
CID 139710624
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(5-chloro-2-methoxyphenyl)-(5-ethylfuran-2-yl)methanamine
CID 55061748
1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
CID 67752088
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883905
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline
CID 105140930
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
CID 79991105

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride (CID 139710615) is (5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride is COc1ccc(Cl)cc1C(N)c1cc2c(C)cccc2o1.Cl.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride?
The InChIKey is RRMWQHONSKRXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2.ClH/c1-10-4-3-5-15-12(10)9-16(21-15)17(19)13-8-11(18)6-7-14(13)20-2;/h3-9,17H,19H2,1-2H3;1H.
What are the key properties of (5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride?
(5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride has a molecular weight of 338.23 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(4-methyl-1-benzofuran-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 139710615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).