1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine

C13H22ClNO — CID 106692647

IUPAC1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccoc1Cl)C(CC)CC
InChIInChI=1S/C13H22ClNO/c1-4-8-15-12(10(5-2)6-3)11-7-9-16-13(11)14/h7,9-10,12,15H,4-6,8H2,1-3H3
InChIKeyMGHLPTYLAWWVOF-UHFFFAOYSA-N
MW243.78 g/mol
LogP4.41
Rot. Bonds7

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

1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine (PubChem CID 106692647) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine
PubChem CID106692647
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccoc1Cl)C(CC)CC
InChIInChI=1S/C13H22ClNO/c1-4-8-15-12(10(5-2)6-3)11-7-9-16-13(11)14/h7,9-10,12,15H,4-6,8H2,1-3H3
InChIKeyMGHLPTYLAWWVOF-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-(2-chlorofuran-3-yl)-N-propylpentan-1-amine
CID 106691699
N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 106692244
1-(2-chlorofuran-3-yl)-2-ethylbutan-1-amine
CID 106692648
1-(2-chloro-4,5-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 107476596
N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106691644
1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 115862073
N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 106691671
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]propan-1-amine
CID 106693110
N-[(2-chlorofuran-3-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 106684250
1-(2-chlorofuran-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893430
N-[(2-chloro-4,5-difluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 107476682
2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine
CID 115856346

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine (CID 106692647) is 1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine is CCCNC(c1ccoc1Cl)C(CC)CC.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine?
The InChIKey is MGHLPTYLAWWVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c1-4-8-15-12(10(5-2)6-3)11-7-9-16-13(11)14/h7,9-10,12,15H,4-6,8H2,1-3H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine?
1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-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-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 106692647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).