N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine

C10H14ClNO — CID 115671447

IUPACN-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(Cl)o2)C1
InChIInChI=1S/C10H14ClNO/c1-7-4-8(5-7)12-6-9-2-3-10(11)13-9/h2-3,7-8,12H,4-6H2,1H3
InChIKeyCQUJFTPTQKKLJC-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.82
Rot. Bonds3

About N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine

N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115671447) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115671447
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(Cl)o2)C1
InChIInChI=1S/C10H14ClNO/c1-7-4-8(5-7)12-6-9-2-3-10(11)13-9/h2-3,7-8,12H,4-6H2,1H3
InChIKeyCQUJFTPTQKKLJC-UHFFFAOYSA-N
XLogP2.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylcyclobutan-1-amine
CID 115711073
3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine
CID 115671696
1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine
CID 54866594
4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106181767
N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine
CID 115655856
N-[(5-chlorofuran-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63922314
N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602680
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 30116573
N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 65317887
N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103700076
[2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol
CID 115655341

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine (CID 115671447) is N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine is CC1CC(NCc2ccc(Cl)o2)C1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is CQUJFTPTQKKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-4-8(5-7)12-6-9-2-3-10(11)13-9/h2-3,7-8,12H,4-6H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine?
N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 199.68 g/mol, XLogP of 2.82, 3 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]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115671447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).