(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride

C12H17BrClN — CID 171223427

IUPAC(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
SMILESCc1ccc(Br)cc1[C@@H](N)CC1CC1.Cl
InChIInChI=1S/C12H16BrN.ClH/c1-8-2-5-10(13)7-11(8)12(14)6-9-3-4-9;/h2,5,7,9,12H,3-4,6,14H2,1H3;1H/t12-;/m0./s1
InChIKeyZOLNHCZWFPIACW-YDALLXLXSA-N
MW290.63 g/mol
LogP3.98
Rot. Bonds3

About (1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride

(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride (PubChem CID 171223427) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is (1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
PubChem CID171223427
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
SMILESCc1ccc(Br)cc1[C@@H](N)CC1CC1.Cl
InChIInChI=1S/C12H16BrN.ClH/c1-8-2-5-10(13)7-11(8)12(14)6-9-3-4-9;/h2,5,7,9,12H,3-4,6,14H2,1H3;1H/t12-;/m0./s1
InChIKeyZOLNHCZWFPIACW-YDALLXLXSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
CID 116937185
(1R)-1-(5-bromo-2-methylphenyl)hexan-1-amine;hydrochloride
CID 171203851
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
CID 171206288
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride?
The IUPAC name of (1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride (CID 171223427) is (1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride is Cc1ccc(Br)cc1[C@@H](N)CC1CC1.Cl.
What is the InChIKey of (1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride?
The InChIKey is ZOLNHCZWFPIACW-YDALLXLXSA-N. The full InChI is InChI=1S/C12H16BrN.ClH/c1-8-2-5-10(13)7-11(8)12(14)6-9-3-4-9;/h2,5,7,9,12H,3-4,6,14H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride?
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride has a molecular weight of 290.63 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride is sourced from PubChem (CID 171223427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).