(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine

C12H17Br2N — CID 171215462

IUPAC(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1ccc(Br)c(Br)c1
InChIInChI=1S/C12H17Br2N/c1-8(2)3-6-12(15)9-4-5-10(13)11(14)7-9/h4-5,7-8,12H,3,6,15H2,1-2H3/t12-/m1/s1
InChIKeyZNLNXBMYTPLJEW-GFCCVEGCSA-N
MW335.08 g/mol
LogP4.65
Rot. Bonds4

About (1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine

(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine (PubChem CID 171215462) has the molecular formula C12H17Br2N and a molecular weight of 335.08 g/mol. Its IUPAC name is (1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine
PubChem CID171215462
Molecular FormulaC12H17Br2N
Molecular Weight335.08 g/mol
Exact Mass332.97
IUPAC Name(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1ccc(Br)c(Br)c1
InChIInChI=1S/C12H17Br2N/c1-8(2)3-6-12(15)9-4-5-10(13)11(14)7-9/h4-5,7-8,12H,3,6,15H2,1-2H3/t12-/m1/s1
InChIKeyZNLNXBMYTPLJEW-GFCCVEGCSA-N
XLogP4.65
TPSA26.02 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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
CID 130641493
(1R)-1-(3,4-dibromophenyl)butan-1-amine
CID 130673463
(1S)-1-(3,4-dibromophenyl)hexan-1-amine
CID 171235073
(1S,2R)-1-amino-1-(3,4-dibromophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171271478
(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
CID 171215459
(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171213951
(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 171202898

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine (CID 171215462) is (1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine is CC(C)CC[C@@H](N)c1ccc(Br)c(Br)c1.
What is the InChIKey of (1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine?
The InChIKey is ZNLNXBMYTPLJEW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17Br2N/c1-8(2)3-6-12(15)9-4-5-10(13)11(14)7-9/h4-5,7-8,12H,3,6,15H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine?
(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine has a molecular weight of 335.08 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 171215462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).