(Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride

C12H17BrClN — CID 170888527

IUPAC(Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride
SMILESCCC(N)C/C(Br)=C/c1ccccc1.Cl
InChIInChI=1S/C12H16BrN.ClH/c1-2-12(14)9-11(13)8-10-6-4-3-5-7-10;/h3-8,12H,2,9,14H2,1H3;1H/b11-8-;
InChIKeyDUJGAIBRKRMWTJ-MKFZHGHUSA-N
MW290.63 g/mol
LogP3.97
Rot. Bonds4

About (Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride

(Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride (PubChem CID 170888527) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is (Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride
PubChem CID170888527
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name(Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride
SMILESCCC(N)C/C(Br)=C/c1ccccc1.Cl
InChIInChI=1S/C12H16BrN.ClH/c1-2-12(14)9-11(13)8-10-6-4-3-5-7-10;/h3-8,12H,2,9,14H2,1H3;1H/b11-8-;
InChIKeyDUJGAIBRKRMWTJ-MKFZHGHUSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2-dibromo(113C)ethenylbenzene
CID 131856077
[(3R,5Z)-5-bromo-6-phenylhexa-1,5-dien-3-yl] acetate
CID 102255973
2-benzylidene-3-methylpentan-1-amine
CID 154441203
(4-methyl-2-propan-2-ylhex-1-enyl)benzene
CID 90737119
3-amino-N-phenylpentanamide
CID 79006475
benzyl (3S)-3-aminopentanoate
CID 89472657
3-amino-1-(2-bromophenyl)pentan-1-one
CID 81462482
(3E)-3-benzylidenepentan-2-ol
CID 135080947
(4E)-4-benzylidene-3-ethylhex-1-en-2-amine
CID 138711424
[(E)-2,3,5-trimethylhept-1-enyl]benzene
CID 102271069

Frequently Asked Questions

What is the IUPAC name of (Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride?
The IUPAC name of (Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride (CID 170888527) is (Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride.
What is the SMILES notation for (Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride?
The canonical SMILES for (Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride is CCC(N)C/C(Br)=C/c1ccccc1.Cl.
What is the InChIKey of (Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride?
The InChIKey is DUJGAIBRKRMWTJ-MKFZHGHUSA-N. The full InChI is InChI=1S/C12H16BrN.ClH/c1-2-12(14)9-11(13)8-10-6-4-3-5-7-10;/h3-8,12H,2,9,14H2,1H3;1H/b11-8-;.
What are the key properties of (Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride?
(Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride has a molecular weight of 290.63 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-bromo-6-phenylhex-5-en-3-amine;hydrochloride is sourced from PubChem (CID 170888527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).