N-tert-butyl-5-chlorofuran-2-amine

C8H12ClNO — CID 167370683

IUPACN-tert-butyl-5-chlorofuran-2-amine
SMILESCC(C)(C)Nc1ccc(Cl)o1
InChIInChI=1S/C8H12ClNO/c1-8(2,3)10-7-5-4-6(9)11-7/h4-5,10H,1-3H3
InChIKeyPGNMZHNHDZYPNR-UHFFFAOYSA-N
MW173.64 g/mol
LogP3.14
Rot. Bonds1

About N-tert-butyl-5-chlorofuran-2-amine

N-tert-butyl-5-chlorofuran-2-amine (PubChem CID 167370683) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is N-tert-butyl-5-chlorofuran-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-chlorofuran-2-amine
PubChem CID167370683
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC NameN-tert-butyl-5-chlorofuran-2-amine
SMILESCC(C)(C)Nc1ccc(Cl)o1
InChIInChI=1S/C8H12ClNO/c1-8(2,3)10-7-5-4-6(9)11-7/h4-5,10H,1-3H3
InChIKeyPGNMZHNHDZYPNR-UHFFFAOYSA-N
XLogP3.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-chlorofuran-2-amine?
The IUPAC name of N-tert-butyl-5-chlorofuran-2-amine (CID 167370683) is N-tert-butyl-5-chlorofuran-2-amine.
What is the SMILES notation for N-tert-butyl-5-chlorofuran-2-amine?
The canonical SMILES for N-tert-butyl-5-chlorofuran-2-amine is CC(C)(C)Nc1ccc(Cl)o1.
What is the InChIKey of N-tert-butyl-5-chlorofuran-2-amine?
The InChIKey is PGNMZHNHDZYPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-8(2,3)10-7-5-4-6(9)11-7/h4-5,10H,1-3H3.
What are the key properties of N-tert-butyl-5-chlorofuran-2-amine?
N-tert-butyl-5-chlorofuran-2-amine has a molecular weight of 173.64 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-chlorofuran-2-amine is sourced from PubChem (CID 167370683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).