(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride

C11H16Br2ClN — CID 171233554

IUPAC(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1cc(Br)cc(Br)c1.Cl
InChIInChI=1S/C11H15Br2N.ClH/c1-2-3-4-11(14)8-5-9(12)7-10(13)6-8;/h5-7,11H,2-4,14H2,1H3;1H/t11-;/m0./s1
InChIKeyOQZTWMGCNRKSRH-MERQFXBCSA-N
MW357.52 g/mol
LogP4.82
Rot. Bonds4

About (1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride

(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride (PubChem CID 171233554) has the molecular formula C11H16Br2ClN and a molecular weight of 357.52 g/mol. Its IUPAC name is (1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
PubChem CID171233554
Molecular FormulaC11H16Br2ClN
Molecular Weight357.52 g/mol
Exact Mass354.93
IUPAC Name(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1cc(Br)cc(Br)c1.Cl
InChIInChI=1S/C11H15Br2N.ClH/c1-2-3-4-11(14)8-5-9(12)7-10(13)6-8;/h5-7,11H,2-4,14H2,1H3;1H/t11-;/m0./s1
InChIKeyOQZTWMGCNRKSRH-MERQFXBCSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171213926
(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171213951
4-[(1S)-1-aminopentyl]-2,6-dibromophenol;hydrochloride
CID 171219518
1-(3-bromo-5-fluorophenyl)octan-1-amine
CID 66423474
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171213954
(4S)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171233582
1-(3,5-dibromophenyl)pentylhydrazine
CID 107978974
(1R)-1-(3-bromo-5-chlorophenyl)butan-1-amine
CID 130706946
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
1-(3-bromophenyl)hexan-1-amine
CID 62602572

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride (CID 171233554) is (1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride is CCCC[C@H](N)c1cc(Br)cc(Br)c1.Cl.
What is the InChIKey of (1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride?
The InChIKey is OQZTWMGCNRKSRH-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15Br2N.ClH/c1-2-3-4-11(14)8-5-9(12)7-10(13)6-8;/h5-7,11H,2-4,14H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride?
(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride has a molecular weight of 357.52 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171233554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).