N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine

C12H17Br2N — CID 60781142

IUPACN-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2N/c1-4-8(2)15-9(3)11-6-5-10(13)7-12(11)14/h5-9,15H,4H2,1-3H3
InChIKeyIRCQMSRIXONKRD-UHFFFAOYSA-N
MW335.08 g/mol
LogP4.66
Rot. Bonds4

About N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine

N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine (PubChem CID 60781142) has the molecular formula C12H17Br2N and a molecular weight of 335.08 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
PubChem CID60781142
Molecular FormulaC12H17Br2N
Molecular Weight335.08 g/mol
Exact Mass332.97
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2N/c1-4-8(2)15-9(3)11-6-5-10(13)7-12(11)14/h5-9,15H,4H2,1-3H3
InChIKeyIRCQMSRIXONKRD-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.08
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine
CID 60781473
N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine
CID 60781481
N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine
CID 64604230
(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
CID 79250446
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine
CID 60781859
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate
CID 107248228
2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260856
(2R)-2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 107860710
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine (CID 60781142) is N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine is CCC(C)NC(C)c1ccc(Br)cc1Br.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine?
The InChIKey is IRCQMSRIXONKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N/c1-4-8(2)15-9(3)11-6-5-10(13)7-12(11)14/h5-9,15H,4H2,1-3H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine?
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine has a molecular weight of 335.08 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine is sourced from PubChem (CID 60781142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).