N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine

C13H19Br2NO — CID 63516536

IUPACN-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO/c1-9(2)7-16-8-10(3)17-13-5-4-11(14)6-12(13)15/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeySRAZLGAFEHLDQZ-UHFFFAOYSA-N
MW365.11 g/mol
LogP4.22
Rot. Bonds6

About N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine

N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine (PubChem CID 63516536) has the molecular formula C13H19Br2NO and a molecular weight of 365.11 g/mol. Its IUPAC name is N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
PubChem CID63516536
Molecular FormulaC13H19Br2NO
Molecular Weight365.11 g/mol
Exact Mass362.98
IUPAC NameN-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO/c1-9(2)7-16-8-10(3)17-13-5-4-11(14)6-12(13)15/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeySRAZLGAFEHLDQZ-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 115402763
2-(4-bromo-2-propan-2-ylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 115402823
4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
CID 62459615
2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
CID 62486029
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 104708465
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002
N-[[6-(2,4-dibromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64721563
4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 63498772
2-(2-bromo-4-chlorophenoxy)-N-prop-2-ynylpropan-1-amine
CID 62572486
4-(2,4-dibromophenoxy)pentanoic acid
CID 62214514
2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 104708487

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine (CID 63516536) is N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)Oc1ccc(Br)cc1Br.
What is the InChIKey of N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is SRAZLGAFEHLDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO/c1-9(2)7-16-8-10(3)17-13-5-4-11(14)6-12(13)15/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine?
N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine has a molecular weight of 365.11 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63516536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).