2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine

C9H12ClNO — CID 62523523

IUPAC2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1ccc(C)o1
InChIInChI=1S/C9H12ClNO/c1-7(10)5-11-6-9-4-3-8(2)12-9/h3-4,11H,1,5-6H2,2H3
InChIKeyOEACSPQJYAGUBX-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine

2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine (PubChem CID 62523523) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
PubChem CID62523523
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1ccc(C)o1
InChIInChI=1S/C9H12ClNO/c1-7(10)5-11-6-9-4-3-8(2)12-9/h3-4,11H,1,5-6H2,2H3
InChIKeyOEACSPQJYAGUBX-UHFFFAOYSA-N
XLogP2.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine (CID 62523523) is 2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine is C=C(Cl)CNCc1ccc(C)o1.
What is the InChIKey of 2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine?
The InChIKey is OEACSPQJYAGUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-7(10)5-11-6-9-4-3-8(2)12-9/h3-4,11H,1,5-6H2,2H3.
What are the key properties of 2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine?
2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine has a molecular weight of 185.65 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 62523523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).