(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine

C12H16BrN — CID 130618346

IUPAC(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
SMILESCc1ccc([C@H](N)CC2CC2)cc1Br
InChIInChI=1S/C12H16BrN/c1-8-2-5-10(7-11(8)13)12(14)6-9-3-4-9/h2,5,7,9,12H,3-4,6,14H2,1H3/t12-/m1/s1
InChIKeyWIXAWOGGPIIFSF-GFCCVEGCSA-N
MW254.17 g/mol
LogP3.56
Rot. Bonds3

About (1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine

(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine (PubChem CID 130618346) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
PubChem CID130618346
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
SMILESCc1ccc([C@H](N)CC2CC2)cc1Br
InChIInChI=1S/C12H16BrN/c1-8-2-5-10(7-11(8)13)12(14)6-9-3-4-9/h2,5,7,9,12H,3-4,6,14H2,1H3/t12-/m1/s1
InChIKeyWIXAWOGGPIIFSF-GFCCVEGCSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol
CID 55295732
(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
CID 130840491
4-(1-amino-2-cyclopropylethyl)-2-methylphenol
CID 55297167
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
1-(3-bromo-4-methylphenyl)but-3-en-1-amine
CID 112693680
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
(1R)-1-(3-bromo-4-methylphenyl)butane-1,4-diamine
CID 171203884
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine?
The IUPAC name of (1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine (CID 130618346) is (1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine.
What is the SMILES notation for (1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine?
The canonical SMILES for (1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine is Cc1ccc([C@H](N)CC2CC2)cc1Br.
What is the InChIKey of (1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine?
The InChIKey is WIXAWOGGPIIFSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-2-5-10(7-11(8)13)12(14)6-9-3-4-9/h2,5,7,9,12H,3-4,6,14H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine?
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine has a molecular weight of 254.17 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine is sourced from PubChem (CID 130618346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).