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

C11H17Cl2NO — CID 115680349

IUPAC1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
SMILESCCC1(CNCc2ccc(Cl)o2)CC1.Cl
InChIInChI=1S/C11H16ClNO.ClH/c1-2-11(5-6-11)8-13-7-9-3-4-10(12)14-9;/h3-4,13H,2,5-8H2,1H3;1H
InChIKeyHGMYYXQLMDRMQP-UHFFFAOYSA-N
MW250.17 g/mol
LogP3.63
Rot. Bonds5

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

1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride (PubChem CID 115680349) has the molecular formula C11H17Cl2NO and a molecular weight of 250.17 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
PubChem CID115680349
Molecular FormulaC11H17Cl2NO
Molecular Weight250.17 g/mol
Exact Mass249.07
IUPAC Name1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
SMILESCCC1(CNCc2ccc(Cl)o2)CC1.Cl
InChIInChI=1S/C11H16ClNO.ClH/c1-2-11(5-6-11)8-13-7-9-3-4-10(12)14-9;/h3-4,13H,2,5-8H2,1H3;1H
InChIKeyHGMYYXQLMDRMQP-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorofuran-2-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735965
[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358933
1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621585
1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 62867945
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
N-[(1-ethylcyclopentyl)methyl]-1-(5-nitrofuran-2-yl)methanamine
CID 103766186
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 103802464
1-(4-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 102609714
N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
CID 115584528
1-(3-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 115696036
1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 115876698
N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine
CID 115768841

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride (CID 115680349) is 1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride is CCC1(CNCc2ccc(Cl)o2)CC1.Cl.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride?
The InChIKey is HGMYYXQLMDRMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO.ClH/c1-2-11(5-6-11)8-13-7-9-3-4-10(12)14-9;/h3-4,13H,2,5-8H2,1H3;1H.
What are the key properties of 1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride?
1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride has a molecular weight of 250.17 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 115680349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).