N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine

C10H16BrNO — CID 63941487

IUPACN-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1occc1Br
InChIInChI=1S/C10H16BrNO/c1-10(2,3)12-6-4-9-8(11)5-7-13-9/h5,7,12H,4,6H2,1-3H3
InChIKeyLJILOASWDHFCTI-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.97
Rot. Bonds3

About N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine

N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 63941487) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine
PubChem CID63941487
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1occc1Br
InChIInChI=1S/C10H16BrNO/c1-10(2,3)12-6-4-9-8(11)5-7-13-9/h5,7,12H,4,6H2,1-3H3
InChIKeyLJILOASWDHFCTI-UHFFFAOYSA-N
XLogP2.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol
CID 64514193
2-(3-bromofuran-2-yl)ethanol
CID 63943836
4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine
CID 79608060
1-(3-bromofuran-2-yl)hexan-3-ol
CID 64513222
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
1-(3-bromofuran-2-yl)-N-methoxymethanamine
CID 106885458
3-[(3-bromofuran-2-yl)methylamino]-2,2-dimethylpropanenitrile
CID 104587447
N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline
CID 103818073
6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine
CID 65306697
2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline
CID 103880716
N-[(3-bromofuran-2-yl)methyl]-4-methylsulfanylaniline
CID 103817834
N-[3-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 106856379

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine (CID 63941487) is N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1occc1Br.
What is the InChIKey of N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is LJILOASWDHFCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-10(2,3)12-6-4-9-8(11)5-7-13-9/h5,7,12H,4,6H2,1-3H3.
What are the key properties of N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 246.15 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromofuran-2-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63941487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).