(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride

C12H18Br2ClN — CID 171213951

IUPAC(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1cc(Br)cc(Br)c1.Cl
InChIInChI=1S/C12H17Br2N.ClH/c1-8(2)3-4-12(15)9-5-10(13)7-11(14)6-9;/h5-8,12H,3-4,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeyGYSDWFKEMUPGLK-UTONKHPSSA-N
MW371.54 g/mol
LogP5.07
Rot. Bonds4

About (1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride

(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride (PubChem CID 171213951) has the molecular formula C12H18Br2ClN and a molecular weight of 371.54 g/mol. Its IUPAC name is (1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride
PubChem CID171213951
Molecular FormulaC12H18Br2ClN
Molecular Weight371.54 g/mol
Exact Mass368.95
IUPAC Name(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1cc(Br)cc(Br)c1.Cl
InChIInChI=1S/C12H17Br2N.ClH/c1-8(2)3-4-12(15)9-5-10(13)7-11(14)6-9;/h5-8,12H,3-4,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeyGYSDWFKEMUPGLK-UTONKHPSSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.54
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533
(1R)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171213926
(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171233554
1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride
CID 138109776
(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171213915
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
(1R)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171233543
(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171213954
(4S)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171233582
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine
CID 171215462
(1S)-4-methyl-1-(3,4,5-trifluorophenyl)pentan-1-amine
CID 171225417

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride (CID 171213951) is (1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride is CC(C)CC[C@@H](N)c1cc(Br)cc(Br)c1.Cl.
What is the InChIKey of (1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride?
The InChIKey is GYSDWFKEMUPGLK-UTONKHPSSA-N. The full InChI is InChI=1S/C12H17Br2N.ClH/c1-8(2)3-4-12(15)9-5-10(13)7-11(14)6-9;/h5-8,12H,3-4,15H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride?
(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride has a molecular weight of 371.54 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171213951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).