N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine

C12H20BrNO — CID 43181214

IUPACN-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1ccc(Br)o1
InChIInChI=1S/C12H20BrNO/c1-9(2)4-5-10(3)14-8-11-6-7-12(13)15-11/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyAGFDXSWHLXRKLO-UHFFFAOYSA-N
MW274.20 g/mol
LogP3.96
Rot. Bonds6

About N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine

N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine (PubChem CID 43181214) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine
PubChem CID43181214
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1ccc(Br)o1
InChIInChI=1S/C12H20BrNO/c1-9(2)4-5-10(3)14-8-11-6-7-12(13)15-11/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyAGFDXSWHLXRKLO-UHFFFAOYSA-N
XLogP3.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]pentan-2-amine
CID 43177748
2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
CID 43499711
N-[(5-chlorofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 60663070
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
CID 43080703
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43180998
N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43223765
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371270
2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid
CID 82344547
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine
CID 64866203
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine (CID 43181214) is N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine?
The InChIKey is AGFDXSWHLXRKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-9(2)4-5-10(3)14-8-11-6-7-12(13)15-11/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine?
N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine has a molecular weight of 274.20 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine is sourced from PubChem (CID 43181214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).