N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine

C14H17Cl2NO — CID 113459820

IUPACN-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCCc1c(CNC(C)C)oc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C14H17Cl2NO/c1-4-9-10-5-6-11(15)13(16)14(10)18-12(9)7-17-8(2)3/h5-6,8,17H,4,7H2,1-3H3
InChIKeyFNMDHBFQSQRXBZ-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.80
Rot. Bonds4

About N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine

N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 113459820) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID113459820
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCCc1c(CNC(C)C)oc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C14H17Cl2NO/c1-4-9-10-5-6-11(15)13(16)14(10)18-12(9)7-17-8(2)3/h5-6,8,17H,4,7H2,1-3H3
InChIKeyFNMDHBFQSQRXBZ-UHFFFAOYSA-N
XLogP4.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104842849
N-[[6,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114375472
N-[[5-bromo-7-chloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376058
N-[(6-chloro-3-ethyl-7-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 116691518
N-[(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81050139
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376989
N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377499
N-[(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81048856
N-[(5-bromo-4,7-dichloro-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662972
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
N-[(4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 104842966

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 113459820) is N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine is CCc1c(CNC(C)C)oc2c(Cl)c(Cl)ccc12.
What is the InChIKey of N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is FNMDHBFQSQRXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-4-9-10-5-6-11(15)13(16)14(10)18-12(9)7-17-8(2)3/h5-6,8,17H,4,7H2,1-3H3.
What are the key properties of N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 286.20 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 113459820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).