4-chloro-N-methylfuran-2-amine;ethane

C7H12ClNO — CID 169147857

IUPAC4-chloro-N-methylfuran-2-amine;ethane
SMILESCC.CNc1cc(Cl)co1
InChIInChI=1S/C5H6ClNO.C2H6/c1-7-5-2-4(6)3-8-5;1-2/h2-3,7H,1H3;1-2H3
InChIKeyKVRLOTMQQTVKND-UHFFFAOYSA-N
MW161.63 g/mol
LogP3.00
Rot. Bonds1

About 4-chloro-N-methylfuran-2-amine;ethane

4-chloro-N-methylfuran-2-amine;ethane (PubChem CID 169147857) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 4-chloro-N-methylfuran-2-amine;ethane.

Molecular Properties

Compound Name4-chloro-N-methylfuran-2-amine;ethane
PubChem CID169147857
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name4-chloro-N-methylfuran-2-amine;ethane
SMILESCC.CNc1cc(Cl)co1
InChIInChI=1S/C5H6ClNO.C2H6/c1-7-5-2-4(6)3-8-5;1-2/h2-3,7H,1H3;1-2H3
InChIKeyKVRLOTMQQTVKND-UHFFFAOYSA-N
XLogP3.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methylfuran-2-amine;ethane?
The IUPAC name of 4-chloro-N-methylfuran-2-amine;ethane (CID 169147857) is 4-chloro-N-methylfuran-2-amine;ethane.
What is the SMILES notation for 4-chloro-N-methylfuran-2-amine;ethane?
The canonical SMILES for 4-chloro-N-methylfuran-2-amine;ethane is CC.CNc1cc(Cl)co1.
What is the InChIKey of 4-chloro-N-methylfuran-2-amine;ethane?
The InChIKey is KVRLOTMQQTVKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO.C2H6/c1-7-5-2-4(6)3-8-5;1-2/h2-3,7H,1H3;1-2H3.
What are the key properties of 4-chloro-N-methylfuran-2-amine;ethane?
4-chloro-N-methylfuran-2-amine;ethane has a molecular weight of 161.63 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methylfuran-2-amine;ethane is sourced from PubChem (CID 169147857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).