1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine

C11H18BrNO — CID 106857415

IUPAC1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1ccoc1Br
InChIInChI=1S/C11H18BrNO/c1-11(2,3)6-4-9(13)8-5-7-14-10(8)12/h5,7,9H,4,6,13H2,1-3H3
InChIKeyBCMBRSPBAJUGNO-UHFFFAOYSA-N
MW260.17 g/mol
LogP3.87
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine

1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine (PubChem CID 106857415) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine
PubChem CID106857415
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1ccoc1Br
InChIInChI=1S/C11H18BrNO/c1-11(2,3)6-4-9(13)8-5-7-14-10(8)12/h5,7,9H,4,6,13H2,1-3H3
InChIKeyBCMBRSPBAJUGNO-UHFFFAOYSA-N
XLogP3.87
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080
1-(2-bromofuran-3-yl)octan-1-amine
CID 106857217
(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine
CID 106851486
1-(2-bromofuran-3-yl)pent-3-yn-1-amine
CID 106857125
1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
CID 106857738
1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine
CID 115850161
1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine
CID 115850151
1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 115849776
1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 106858230
1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106857204
4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 114211571
2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan
CID 106855573

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine (CID 106857415) is 1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine is CC(C)(C)CCC(N)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is BCMBRSPBAJUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-11(2,3)6-4-9(13)8-5-7-14-10(8)12/h5,7,9H,4,6,13H2,1-3H3.
What are the key properties of 1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine?
1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 260.17 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 106857415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).