1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine

C18H18ClNO — CID 105048549

IUPAC1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)c1cc(C)ccc1C
InChIInChI=1S/C18H18ClNO/c1-11-7-8-12(2)14(9-11)17(20-3)16-10-13-5-4-6-15(19)18(13)21-16/h4-10,17,20H,1-3H3
InChIKeyKQYUCDJARBPORT-UHFFFAOYSA-N
MW299.80 g/mol
LogP5.01
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine

1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 105048549) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
PubChem CID105048549
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)c1cc(C)ccc1C
InChIInChI=1S/C18H18ClNO/c1-11-7-8-12(2)14(9-11)17(20-3)16-10-13-5-4-6-15(19)18(13)21-16/h4-10,17,20H,1-3H3
InChIKeyKQYUCDJARBPORT-UHFFFAOYSA-N
XLogP5.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.80
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114730954
1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045456
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 105048406
1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483845
1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105048574
1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105048423
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
1-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923909
1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142543

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine (CID 105048549) is 1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc2cccc(Cl)c2o1)c1cc(C)ccc1C.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is KQYUCDJARBPORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-11-7-8-12(2)14(9-11)17(20-3)16-10-13-5-4-6-15(19)18(13)21-16/h4-10,17,20H,1-3H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 299.80 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105048549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).