(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride

C10H13BrClN — CID 171203845

IUPAC(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1cc(Br)ccc1C.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-3-10(12)9-6-8(11)5-4-7(9)2;/h3-6,10H,1,12H2,2H3;1H/t10-;/m1./s1
InChIKeyAMCAOMVFHVNYDF-HNCPQSOCSA-N
MW262.58 g/mol
LogP3.37
Rot. Bonds2

About (1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride

(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride (PubChem CID 171203845) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride
PubChem CID171203845
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1cc(Br)ccc1C.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-3-10(12)9-6-8(11)5-4-7(9)2;/h3-6,10H,1,12H2,2H3;1H/t10-;/m1./s1
InChIKeyAMCAOMVFHVNYDF-HNCPQSOCSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.37
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

2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde
CID 116939092
(1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine
CID 130853844
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
3-[(1R)-1-aminoprop-2-enyl]-4-methylbenzoic acid
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(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427
(1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine
CID 131144021
(1R)-1-(5-bromo-2-methylphenyl)hexan-1-amine;hydrochloride
CID 171203851
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
(1S)-1-(4-chloro-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171231441
4-(1-aminoprop-2-enyl)-3-methylaniline
CID 55283470

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride (CID 171203845) is (1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1cc(Br)ccc1C.Cl.
What is the InChIKey of (1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is AMCAOMVFHVNYDF-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c1-3-10(12)9-6-8(11)5-4-7(9)2;/h3-6,10H,1,12H2,2H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride?
(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171203845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).