1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

C17H17ClFNO — CID 43487238

IUPAC1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCNC(c1ccc2c(c1)CC(C)O2)c1ccc(F)cc1Cl
InChIInChI=1S/C17H17ClFNO/c1-10-7-12-8-11(3-6-16(12)21-10)17(20-2)14-5-4-13(19)9-15(14)18/h3-6,8-10,17,20H,7H2,1-2H3
InChIKeyVMSLXRXUNYZBOG-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.11
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 43487238) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID43487238
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCNC(c1ccc2c(c1)CC(C)O2)c1ccc(F)cc1Cl
InChIInChI=1S/C17H17ClFNO/c1-10-7-12-8-11(3-6-16(12)21-10)17(20-2)14-5-4-13(19)9-15(14)18/h3-6,8-10,17,20H,7H2,1-2H3
InChIKeyVMSLXRXUNYZBOG-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine 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

5-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 63436582
(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 51694296
5-[bromo-(2-bromo-4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 63442604
1-(furan-3-yl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43487185
(2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61081247
5-[bromo-(2-chloro-4-methylphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 106863093
(2-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61082038
(4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 82771936
1-(2-chloro-4,5-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 107476209
5-[chloro-(2,4,6-trifluorophenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 65100289
1-(2-chloro-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482921
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 43487238) is 1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is CNC(c1ccc2c(c1)CC(C)O2)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is VMSLXRXUNYZBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-10-7-12-8-11(3-6-16(12)21-10)17(20-2)14-5-4-13(19)9-15(14)18/h3-6,8-10,17,20H,7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 305.78 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 43487238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).