N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine

C11H16ClNO — CID 103700076

IUPACN-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine
SMILESCC(C)(NCc1ccc(Cl)o1)C1CC1
InChIInChI=1S/C11H16ClNO/c1-11(2,8-3-4-8)13-7-9-5-6-10(12)14-9/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyCPPZUYFMRIOCNM-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.21
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine

N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine (PubChem CID 103700076) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine
PubChem CID103700076
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine
SMILESCC(C)(NCc1ccc(Cl)o1)C1CC1
InChIInChI=1S/C11H16ClNO/c1-11(2,8-3-4-8)13-7-9-5-6-10(12)14-9/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyCPPZUYFMRIOCNM-UHFFFAOYSA-N
XLogP3.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]cyclopropanamine
CID 16781359
[(Furan-2-yl)methyl](3-methylbutyl)amine hydrochloride
CID 17206950
[(5-Methylfuran-2-yl)methyl](4-methylpentyl)amine
CID 60743879
((5-Chlorofuran-2-yl)methyl)(2-methylpropyl)amine hydrochloride
CID 155822392
[(Furan-2-yl)methyl](2-methylbutyl)amine hydrochloride
CID 165994434
[(5-Chlorofuran-2-yl)methyl](methyl)amine hydrochloride
CID 166000899
N-[(5-chloro-2-furyl)methyl]-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 77084445
N-[(5-chlorofuran-2-yl)methyl]-N-methyl-1-[(3S)-1-methylpiperidin-3-yl]methanamine
CID 97157353
2-[(3S)-1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 129614994
N-(2-furylmethyl)-N-(3-methylbutyl)amine
CID 16775041
N-(furan-2-ylmethyl)-2-methylbutan-2-amine
CID 17206952
N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 15778656

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine (CID 103700076) is N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine is CC(C)(NCc1ccc(Cl)o1)C1CC1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine?
The InChIKey is CPPZUYFMRIOCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-11(2,8-3-4-8)13-7-9-5-6-10(12)14-9/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine?
N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine has a molecular weight of 213.71 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine is sourced from PubChem (CID 103700076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).