1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol

C11H19BrN2O2 — CID 103527551

IUPAC1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCc1ccc(Br)o1
InChIInChI=1S/C11H19BrN2O2/c1-11(15,8-14(2)3)7-13-6-9-4-5-10(12)16-9/h4-5,13,15H,6-8H2,1-3H3
InChIKeySTTTYTLFSDENFY-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.44
Rot. Bonds6

About 1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 103527551) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID103527551
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCc1ccc(Br)o1
InChIInChI=1S/C11H19BrN2O2/c1-11(15,8-14(2)3)7-13-6-9-4-5-10(12)16-9/h4-5,13,15H,6-8H2,1-3H3
InChIKeySTTTYTLFSDENFY-UHFFFAOYSA-N
XLogP1.44
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66178579
1-N-[(5-bromofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 28651868
methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate
CID 103923755
1-(dimethylamino)-2-methyl-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
CID 110019143
1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838978
5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103527615
4-bromo-2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenol
CID 103838856
N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 103527688
5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 106149182
1-[(2-bromo-5-chlorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838920
1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838949
3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106186158

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 103527551) is 1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNCc1ccc(Br)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is STTTYTLFSDENFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-11(15,8-14(2)3)7-13-6-9-4-5-10(12)16-9/h4-5,13,15H,6-8H2,1-3H3.
What are the key properties of 1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 291.19 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 103527551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).