1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine

C17H24ClNO — CID 65439498

IUPAC1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1cc2c(C)c(Cl)c(C)cc2o1)C(C)(C)C
InChIInChI=1S/C17H24ClNO/c1-7-19-16(17(4,5)6)14-9-12-11(3)15(18)10(2)8-13(12)20-14/h8-9,16,19H,7H2,1-6H3
InChIKeyGGFSXICVSQPAMV-UHFFFAOYSA-N
MW293.84 g/mol
LogP5.40
Rot. Bonds3

About 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine

1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 65439498) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID65439498
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1cc2c(C)c(Cl)c(C)cc2o1)C(C)(C)C
InChIInChI=1S/C17H24ClNO/c1-7-19-16(17(4,5)6)14-9-12-11(3)15(18)10(2)8-13(12)20-14/h8-9,16,19H,7H2,1-6H3
InChIKeyGGFSXICVSQPAMV-UHFFFAOYSA-N
XLogP5.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.84
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-1-hydroxynaphthalen-2-yl)-(furan-2-yl)methyl]propanamide
CID 44142331
N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}prop-2-en-1-amine
CID 4724317
N-[[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methyl]pentan-3-amine
CID 6620745
4-[[[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]amino]methyl]oxane-4-carboxamide
CID 97795197
2-(3-chlorophenyl)-N-[[6-(trifluoromethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 141270411
1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 43224170
1-(1-benzofuran-2-yl)-2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 61079693
N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 61282881
1-(1-benzofuran-2-yl)-N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62537595
1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63091313
N-[1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 64855375
N-ethyl-1-(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)ethanamine
CID 64855377

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 65439498) is 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNC(c1cc2c(C)c(Cl)c(C)cc2o1)C(C)(C)C.
What is the InChIKey of 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is GGFSXICVSQPAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-7-19-16(17(4,5)6)14-9-12-11(3)15(18)10(2)8-13(12)20-14/h8-9,16,19H,7H2,1-6H3.
What are the key properties of 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 65439498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).