(1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine

C9H12ClNO — CID 55272415

IUPAC(1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1ccc(Cl)o1
InChIInChI=1S/C9H12ClNO/c10-9-4-3-8(12-9)7(11)5-6-1-2-6/h3-4,6-7H,1-2,5,11H2/t7-/m0/s1
InChIKeyILTTTWRZWLLVDH-ZETCQYMHSA-N
MW185.65 g/mol
LogP2.73
Rot. Bonds3

About (1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine

(1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine (PubChem CID 55272415) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name(1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine
PubChem CID55272415
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1ccc(Cl)o1
InChIInChI=1S/C9H12ClNO/c10-9-4-3-8(12-9)7(11)5-6-1-2-6/h3-4,6-7H,1-2,5,11H2/t7-/m0/s1
InChIKeyILTTTWRZWLLVDH-ZETCQYMHSA-N
XLogP2.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-chlorofuran-2-yl)-2-cyclopropylethyl]hydrazine
CID 106694459
2-amino-2-(5-chlorofuran-2-yl)ethanol
CID 55295388
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
(1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313296
1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine
CID 114193506
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
[(5-chlorofuran-2-yl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 106694480
(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile
CID 130956865
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
1-(5-chlorofuran-2-yl)-3-methylbut-3-en-1-amine
CID 106692476
(1R)-2-cyclopropyl-1-(furan-3-yl)ethanamine
CID 55293675
2-cyclohexyl-1-[5-(methoxymethyl)furan-2-yl]ethanamine
CID 113461702

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine?
The IUPAC name of (1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine (CID 55272415) is (1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine.
What is the SMILES notation for (1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine?
The canonical SMILES for (1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine is N[C@@H](CC1CC1)c1ccc(Cl)o1.
What is the InChIKey of (1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine?
The InChIKey is ILTTTWRZWLLVDH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-9-4-3-8(12-9)7(11)5-6-1-2-6/h3-4,6-7H,1-2,5,11H2/t7-/m0/s1.
What are the key properties of (1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine?
(1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine has a molecular weight of 185.65 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine is sourced from PubChem (CID 55272415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).