1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine

C16H14ClNO — CID 114732026

IUPAC1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc3cccc(Cl)c3o2)cc1
InChIInChI=1S/C16H14ClNO/c1-18-10-11-5-7-12(8-6-11)15-9-13-3-2-4-14(17)16(13)19-15/h2-9,18H,10H2,1H3
InChIKeyPVYGAHMQMXBKNS-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.47
Rot. Bonds3

About 1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine

1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine (PubChem CID 114732026) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
PubChem CID114732026
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc3cccc(Cl)c3o2)cc1
InChIInChI=1S/C16H14ClNO/c1-18-10-11-5-7-12(8-6-11)15-9-13-3-2-4-14(17)16(13)19-15/h2-9,18H,10H2,1H3
InChIKeyPVYGAHMQMXBKNS-UHFFFAOYSA-N
XLogP4.47
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732546
ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide
CID 156861554
ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 156861552
1-[3-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731957
N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732508
[4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine
CID 114732018
5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid
CID 114731756
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine
CID 106888210
[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
CID 114732565
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888206

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine (CID 114732026) is 1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2cc3cccc(Cl)c3o2)cc1.
What is the InChIKey of 1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is PVYGAHMQMXBKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-18-10-11-5-7-12(8-6-11)15-9-13-3-2-4-14(17)16(13)19-15/h2-9,18H,10H2,1H3.
What are the key properties of 1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 271.75 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114732026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).