2-(2-chloro-5-methylfuran-3-yl)propan-1-amine

C8H12ClNO — CID 82653548

IUPAC2-(2-chloro-5-methylfuran-3-yl)propan-1-amine
SMILESCc1cc(C(C)CN)c(Cl)o1
InChIInChI=1S/C8H12ClNO/c1-5(4-10)7-3-6(2)11-8(7)9/h3,5H,4,10H2,1-2H3
InChIKeyNFEFXXPFZTWGMB-UHFFFAOYSA-N
MW173.64 g/mol
LogP2.30
Rot. Bonds2

About 2-(2-chloro-5-methylfuran-3-yl)propan-1-amine

2-(2-chloro-5-methylfuran-3-yl)propan-1-amine (PubChem CID 82653548) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 2-(2-chloro-5-methylfuran-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-5-methylfuran-3-yl)propan-1-amine
PubChem CID82653548
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name2-(2-chloro-5-methylfuran-3-yl)propan-1-amine
SMILESCc1cc(C(C)CN)c(Cl)o1
InChIInChI=1S/C8H12ClNO/c1-5(4-10)7-3-6(2)11-8(7)9/h3,5H,4,10H2,1-2H3
InChIKeyNFEFXXPFZTWGMB-UHFFFAOYSA-N
XLogP2.30
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylfuran-3-yl)propan-1-amine?
The IUPAC name of 2-(2-chloro-5-methylfuran-3-yl)propan-1-amine (CID 82653548) is 2-(2-chloro-5-methylfuran-3-yl)propan-1-amine.
What is the SMILES notation for 2-(2-chloro-5-methylfuran-3-yl)propan-1-amine?
The canonical SMILES for 2-(2-chloro-5-methylfuran-3-yl)propan-1-amine is Cc1cc(C(C)CN)c(Cl)o1.
What is the InChIKey of 2-(2-chloro-5-methylfuran-3-yl)propan-1-amine?
The InChIKey is NFEFXXPFZTWGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-5(4-10)7-3-6(2)11-8(7)9/h3,5H,4,10H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylfuran-3-yl)propan-1-amine?
2-(2-chloro-5-methylfuran-3-yl)propan-1-amine has a molecular weight of 173.64 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylfuran-3-yl)propan-1-amine is sourced from PubChem (CID 82653548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).