1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine

C17H16ClNO — CID 114727660

IUPAC1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H16ClNO/c1-11-3-5-12(6-4-11)17(19-2)16-10-13-9-14(18)7-8-15(13)20-16/h3-10,17,19H,1-2H3
InChIKeyIVINREHTFLOEBB-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.70
Rot. Bonds3

About 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine

1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 114727660) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID114727660
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H16ClNO/c1-11-3-5-12(6-4-11)17(19-2)16-10-13-9-14(18)7-8-15(13)20-16/h3-10,17,19H,1-2H3
InChIKeyIVINREHTFLOEBB-UHFFFAOYSA-N
XLogP4.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 105045789
1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 114728551
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
1-(5-chloro-1-benzofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 114727543
1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105045730
[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105338541
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107503555
1-(5-chloro-1-benzofuran-2-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114728517
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methylfuran-3-yl)methanamine
CID 105045142
1-(5-chloro-1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114728510
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114729955

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine (CID 114727660) is 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine is CNC(c1ccc(C)cc1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is IVINREHTFLOEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-11-3-5-12(6-4-11)17(19-2)16-10-13-9-14(18)7-8-15(13)20-16/h3-10,17,19H,1-2H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine?
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 285.77 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 114727660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).