(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride

C11H15BrClN — CID 171219224

IUPAC(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrN.ClH/c12-10-5-3-9(4-6-10)11(13)7-8-1-2-8;/h3-6,8,11H,1-2,7,13H2;1H/t11-;/m0./s1
InChIKeySRYUBIOFRNUREV-MERQFXBCSA-N
MW276.60 g/mol
LogP3.67
Rot. Bonds3

About (1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride

(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride (PubChem CID 171219224) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
PubChem CID171219224
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrN.ClH/c12-10-5-3-9(4-6-10)11(13)7-8-1-2-8;/h3-6,8,11H,1-2,7,13H2;1H/t11-;/m0./s1
InChIKeySRYUBIOFRNUREV-MERQFXBCSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
CID 150978200
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
(1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine
CID 131028526
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198670
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346
(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
CID 130840491

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride?
The IUPAC name of (1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride (CID 171219224) is (1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride is Cl.N[C@@H](CC1CC1)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride?
The InChIKey is SRYUBIOFRNUREV-MERQFXBCSA-N. The full InChI is InChI=1S/C11H14BrN.ClH/c12-10-5-3-9(4-6-10)11(13)7-8-1-2-8;/h3-6,8,11H,1-2,7,13H2;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride?
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride has a molecular weight of 276.60 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride is sourced from PubChem (CID 171219224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).