1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine

C18H26ClNO — CID 105045797

IUPAC1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C18H26ClNO/c1-4-7-8-13(5-2)18(20-6-3)17-12-14-11-15(19)9-10-16(14)21-17/h9-13,18,20H,4-8H2,1-3H3
InChIKeyAFUQLTLKMQCQGK-UHFFFAOYSA-N
MW307.86 g/mol
LogP5.95
Rot. Bonds8

About 1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine

1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine (PubChem CID 105045797) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
PubChem CID105045797
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C18H26ClNO/c1-4-7-8-13(5-2)18(20-6-3)17-12-14-11-15(19)9-10-16(14)21-17/h9-13,18,20H,4-8H2,1-3H3
InChIKeyAFUQLTLKMQCQGK-UHFFFAOYSA-N
XLogP5.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.86
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine
CID 105045206
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731265
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
CID 105338554
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105185660
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 114730985
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
3-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735577

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine (CID 105045797) is 1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine is CCCCC(CC)C(NCC)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine?
The InChIKey is AFUQLTLKMQCQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-4-7-8-13(5-2)18(20-6-3)17-12-14-11-15(19)9-10-16(14)21-17/h9-13,18,20H,4-8H2,1-3H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine?
1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine has a molecular weight of 307.86 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine is sourced from PubChem (CID 105045797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).