1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine

C15H20ClNO — CID 114377486

IUPAC1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc2c(C)ccc(Cl)c2c1CC(C)C
InChIInChI=1S/C15H20ClNO/c1-9(2)7-11-13(8-17-4)18-15-10(3)5-6-12(16)14(11)15/h5-6,9,17H,7-8H2,1-4H3
InChIKeyPFENNDNEECGBHA-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.31
Rot. Bonds4

About 1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine

1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 114377486) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID114377486
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc2c(C)ccc(Cl)c2c1CC(C)C
InChIInChI=1S/C15H20ClNO/c1-9(2)7-11-13(8-17-4)18-15-10(3)5-6-12(16)14(11)15/h5-6,9,17H,7-8H2,1-4H3
InChIKeyPFENNDNEECGBHA-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377499
1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843076
[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114376411
1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 114376423
[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375860
N-[(4-chloro-3-ethyl-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843191
N-[(4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 104842966
N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 102990769
N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377473
N-[(4-chloro-3,7-dimethyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 81047445
1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 102990740
N-[[6,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114375472

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine (CID 114377486) is 1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine is CNCc1oc2c(C)ccc(Cl)c2c1CC(C)C.
What is the InChIKey of 1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is PFENNDNEECGBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-9(2)7-11-13(8-17-4)18-15-10(3)5-6-12(16)14(11)15/h5-6,9,17H,7-8H2,1-4H3.
What are the key properties of 1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine?
1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 265.78 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 114377486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).