N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine

C12H20BrNO2 — CID 103527688

IUPACN-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1ccc(Br)o1
InChIInChI=1S/C12H20BrNO2/c1-12(2,6-7-15-3)9-14-8-10-4-5-11(13)16-10/h4-5,14H,6-9H2,1-3H3
InChIKeyRDJHYPXFJOCOLE-UHFFFAOYSA-N
MW290.20 g/mol
LogP3.19
Rot. Bonds7

About N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine

N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 103527688) has the molecular formula C12H20BrNO2 and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID103527688
Molecular FormulaC12H20BrNO2
Molecular Weight290.20 g/mol
Exact Mass289.07
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1ccc(Br)o1
InChIInChI=1S/C12H20BrNO2/c1-12(2,6-7-15-3)9-14-8-10-4-5-11(13)16-10/h4-5,14H,6-9H2,1-3H3
InChIKeyRDJHYPXFJOCOLE-UHFFFAOYSA-N
XLogP3.19
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103527615
4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 104625246
1-N-[(5-bromofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 28651868
N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858420
1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103527551
1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66178579
N-[(2-bromo-4-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624998
N-[(2,6-dimethylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625041
N-[(5-bromofuran-2-yl)methyl]-N'-tert-butylpropane-1,3-diamine
CID 115572727
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104857055
5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline
CID 114125893

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine (CID 103527688) is N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNCc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is RDJHYPXFJOCOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO2/c1-12(2,6-7-15-3)9-14-8-10-4-5-11(13)16-10/h4-5,14H,6-9H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 290.20 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103527688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).