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

C16H22ClNO — CID 114728128

IUPAC1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H22ClNO/c1-4-18-14(9-8-11(2)3)15-10-12-6-5-7-13(17)16(12)19-15/h5-7,10-11,14,18H,4,8-9H2,1-3H3
InChIKeyDNIFKCQFJJOQHH-UHFFFAOYSA-N
MW279.81 g/mol
LogP5.17
Rot. Bonds6

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

1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine (PubChem CID 114728128) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
PubChem CID114728128
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H22ClNO/c1-4-18-14(9-8-11(2)3)15-10-12-6-5-7-13(17)16(12)19-15/h5-7,10-11,14,18H,4,8-9H2,1-3H3
InChIKeyDNIFKCQFJJOQHH-UHFFFAOYSA-N
XLogP5.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.81
LogP ≤ 55.17
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-N',N'-dimethylpropane-1,3-diamine
CID 114730512
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114728971
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
CID 114733575
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 114728426
N-[(7-chloro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048624
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine (CID 114728128) is 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine is CCNC(CCC(C)C)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine?
The InChIKey is DNIFKCQFJJOQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-4-18-14(9-8-11(2)3)15-10-12-6-5-7-13(17)16(12)19-15/h5-7,10-11,14,18H,4,8-9H2,1-3H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine?
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine has a molecular weight of 279.81 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 114728128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).