1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine

C13H22ClNO — CID 106691831

IUPAC1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1ccc(Cl)o1
InChIInChI=1S/C13H22ClNO/c1-4-6-10(3)9-11(15-5-2)12-7-8-13(14)16-12/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyZQXGEJFUPBCJNR-UHFFFAOYSA-N
MW243.78 g/mol
LogP4.41
Rot. Bonds7

About 1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine

1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine (PubChem CID 106691831) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine
PubChem CID106691831
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1ccc(Cl)o1
InChIInChI=1S/C13H22ClNO/c1-4-6-10(3)9-11(15-5-2)12-7-8-13(14)16-12/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyZQXGEJFUPBCJNR-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine
CID 114201829
1-(5-chlorofuran-2-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 106687804
1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine
CID 112709867
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845507
1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106691857
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 106692130
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106687925
1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63413122
1-(5-chlorofuran-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 106687833

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine (CID 106691831) is 1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine is CCCC(C)CC(NCC)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine?
The InChIKey is ZQXGEJFUPBCJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c1-4-6-10(3)9-11(15-5-2)12-7-8-13(14)16-12/h7-8,10-11,15H,4-6,9H2,1-3H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine?
1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine has a molecular weight of 243.78 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine is sourced from PubChem (CID 106691831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).