(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine

C11H14ClN3O — CID 106689402

IUPAC(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1ccoc1Cl
InChIInChI=1S/C11H14ClN3O/c1-2-5-15-6-4-14-11(15)9(13)8-3-7-16-10(8)12/h3-4,6-7,9H,2,5,13H2,1H3
InChIKeyMMHHHRADZTUXRN-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.59
Rot. Bonds4

About (2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine

(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine (PubChem CID 106689402) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine
PubChem CID106689402
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1ccoc1Cl
InChIInChI=1S/C11H14ClN3O/c1-2-5-15-6-4-14-11(15)9(13)8-3-7-16-10(8)12/h3-4,6-7,9H,2,5,13H2,1H3
InChIKeyMMHHHRADZTUXRN-UHFFFAOYSA-N
XLogP2.59
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine
CID 61316093
(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 106692049
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine
CID 79808047
(1-propylimidazol-2-yl)-quinoxalin-5-ylmethanamine
CID 104615599
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979
N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 106689411
[1-(2-chlorofuran-3-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 106694577
[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105193319
2-phenyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 114029101
[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307653
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 61319379
(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 82772685

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of (2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine (CID 106689402) is (2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for (2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for (2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(N)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine?
The InChIKey is MMHHHRADZTUXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-2-5-15-6-4-14-11(15)9(13)8-3-7-16-10(8)12/h3-4,6-7,9H,2,5,13H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine?
(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine has a molecular weight of 239.71 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 106689402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).