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

C10H14ClNO2 — CID 115768841

IUPACN-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine
SMILESCC1(NCc2ccc(Cl)o2)CCOC1
InChIInChI=1S/C10H14ClNO2/c1-10(4-5-13-7-10)12-6-8-2-3-9(11)14-8/h2-3,12H,4-7H2,1H3
InChIKeyZFIVQQAISMRWLX-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.20
Rot. Bonds3

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

N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine (PubChem CID 115768841) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine
PubChem CID115768841
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine
SMILESCC1(NCc2ccc(Cl)o2)CCOC1
InChIInChI=1S/C10H14ClNO2/c1-10(4-5-13-7-10)12-6-8-2-3-9(11)14-8/h2-3,12H,4-7H2,1H3
InChIKeyZFIVQQAISMRWLX-UHFFFAOYSA-N
XLogP2.20
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol
CID 115758150
N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768729
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768576
2-[1-[(5-chlorofuran-2-yl)methylamino]cyclobutyl]ethanol
CID 115674021
3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 115768600
1-(5-chlorofuran-2-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735965
N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
CID 113338521
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
CID 115768832
N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
CID 115768702
N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine
CID 103897522

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine (CID 115768841) is N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine is CC1(NCc2ccc(Cl)o2)CCOC1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine?
The InChIKey is ZFIVQQAISMRWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-10(4-5-13-7-10)12-6-8-2-3-9(11)14-8/h2-3,12H,4-7H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine?
N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine has a molecular weight of 215.68 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine is sourced from PubChem (CID 115768841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).