(1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride

C11H14BrCl2N — CID 171203790

IUPAC(1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(Cl)cc1Br.Cl
InChIInChI=1S/C11H13BrClN.ClH/c1-2-3-4-11(14)9-6-5-8(13)7-10(9)12;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m1./s1
InChIKeyCYGHAXREFMHUKO-RFVHGSKJSA-N
MW311.05 g/mol
LogP4.49
Rot. Bonds4

About (1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride

(1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171203790) has the molecular formula C11H14BrCl2N and a molecular weight of 311.05 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171203790
Molecular FormulaC11H14BrCl2N
Molecular Weight311.05 g/mol
Exact Mass308.97
IUPAC Name(1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(Cl)cc1Br.Cl
InChIInChI=1S/C11H13BrClN.ClH/c1-2-3-4-11(14)9-6-5-8(13)7-10(9)12;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m1./s1
InChIKeyCYGHAXREFMHUKO-RFVHGSKJSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.05
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 130783678
(1R)-1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
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1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
CID 103692971
(1S)-1-(2-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
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2-[(1S)-1-aminopent-4-enyl]-4-chloroaniline
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(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine
CID 131362641
2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol
CID 171217147
1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine
CID 103947027
1-(2-bromo-4-chlorophenyl)octan-1-amine
CID 107992453
1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
CID 114894567
(1R)-1-(5-chloro-2-nitrophenyl)pent-4-en-1-amine;hydrochloride
CID 171206412
(1S)-1-(2-bromo-4-chlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313001

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride (CID 171203790) is (1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1ccc(Cl)cc1Br.Cl.
What is the InChIKey of (1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is CYGHAXREFMHUKO-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H13BrClN.ClH/c1-2-3-4-11(14)9-6-5-8(13)7-10(9)12;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride?
(1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 311.05 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171203790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).