N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride

C11H18Cl2N2O — CID 115593264

IUPACN-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCN1CCCC1CNCc1ccc(Cl)o1.Cl
InChIInChI=1S/C11H17ClN2O.ClH/c1-14-6-2-3-9(14)7-13-8-10-4-5-11(12)15-10;/h4-5,9,13H,2-3,6-8H2,1H3;1H
InChIKeyWDYIICXDMIYNJH-UHFFFAOYSA-N
MW265.18 g/mol
LogP2.54
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride

N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride (PubChem CID 115593264) has the molecular formula C11H18Cl2N2O and a molecular weight of 265.18 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
PubChem CID115593264
Molecular FormulaC11H18Cl2N2O
Molecular Weight265.18 g/mol
Exact Mass264.08
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCN1CCCC1CNCc1ccc(Cl)o1.Cl
InChIInChI=1S/C11H17ClN2O.ClH/c1-14-6-2-3-9(14)7-13-8-10-4-5-11(12)15-10;/h4-5,9,13H,2-3,6-8H2,1H3;1H
InChIKeyWDYIICXDMIYNJH-UHFFFAOYSA-N
XLogP2.54
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 114138263
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115683653
N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 79312711
1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115593273
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17215877
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215932
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17215859
2-methyl-N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79311221
4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 113357812

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride (CID 115593264) is N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride is CN1CCCC1CNCc1ccc(Cl)o1.Cl.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride?
The InChIKey is WDYIICXDMIYNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O.ClH/c1-14-6-2-3-9(14)7-13-8-10-4-5-11(12)15-10;/h4-5,9,13H,2-3,6-8H2,1H3;1H.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride?
N-[(5-chlorofuran-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride has a molecular weight of 265.18 g/mol, XLogP of 2.54, 4 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]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 115593264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).