4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine

C15H20ClNO — CID 114733575

IUPAC4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H20ClNO/c1-4-17-11(3)8-10(2)14-9-12-6-5-7-13(16)15(12)18-14/h5-7,9-11,17H,4,8H2,1-3H3
InChIKeyNHTCVSAHZZWPNC-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.58
Rot. Bonds5

About 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine

4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine (PubChem CID 114733575) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
PubChem CID114733575
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H20ClNO/c1-4-17-11(3)8-10(2)14-9-12-6-5-7-13(16)15(12)18-14/h5-7,9-11,17H,4,8H2,1-3H3
InChIKeyNHTCVSAHZZWPNC-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114728971
N-[(7-chloro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048624
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114730512
N-[(7-chloro-1-benzofuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105048573
1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830655
1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 105048645
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine?
The IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine (CID 114733575) is 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine.
What is the SMILES notation for 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine?
The canonical SMILES for 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine is CCNC(C)CC(C)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine?
The InChIKey is NHTCVSAHZZWPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-4-17-11(3)8-10(2)14-9-12-6-5-7-13(16)15(12)18-14/h5-7,9-11,17H,4,8H2,1-3H3.
What are the key properties of 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine?
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine has a molecular weight of 265.78 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine is sourced from PubChem (CID 114733575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).