1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine

C13H16ClNO — CID 104843076

IUPAC1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2c(Cl)ccc(C)c12
InChIInChI=1S/C13H16ClNO/c1-4-9-11(7-15-3)16-13-10(14)6-5-8(2)12(9)13/h5-6,15H,4,7H2,1-3H3
InChIKeyKDLCTLCGUKOLCB-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.68
Rot. Bonds3

About 1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine

1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 104843076) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID104843076
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2c(Cl)ccc(C)c12
InChIInChI=1S/C13H16ClNO/c1-4-9-11(7-15-3)16-13-10(14)6-5-8(2)12(9)13/h5-6,15H,4,7H2,1-3H3
InChIKeyKDLCTLCGUKOLCB-UHFFFAOYSA-N
XLogP3.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-7-fluoro-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843187
N-methyl-1-(4,5,7-trichloro-3-ethyl-1-benzofuran-2-yl)methanamine
CID 104842865
1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 114376423
N-[(4-chloro-3-ethyl-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843191
1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114377486
N-[(4-bromo-7-chloro-3-ethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 113459863
N-[(4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 104842966
1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843160
N-[(3-tert-butyl-7-chloro-4-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376949
N-[(7-chloro-4-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376933
1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843083
1-(6-chloro-2,3-dimethylphenyl)-N-methylmethanamine
CID 84659371

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 104843076) is 1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine is CCc1c(CNC)oc2c(Cl)ccc(C)c12.
What is the InChIKey of 1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is KDLCTLCGUKOLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-4-9-11(7-15-3)16-13-10(14)6-5-8(2)12(9)13/h5-6,15H,4,7H2,1-3H3.
What are the key properties of 1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 237.73 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104843076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).