(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine

C11H13BrClN — CID 130840491

IUPAC(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClN/c12-9-6-8(3-4-10(9)13)11(14)5-7-1-2-7/h3-4,6-7,11H,1-2,5,14H2/t11-/m0/s1
InChIKeyXSCPYVDNEAIZGI-NSHDSACASA-N
MW274.59 g/mol
LogP3.90
Rot. Bonds3

About (1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine

(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine (PubChem CID 130840491) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is (1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
PubChem CID130840491
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClN/c12-9-6-8(3-4-10(9)13)11(14)5-7-1-2-7/h3-4,6-7,11H,1-2,5,14H2/t11-/m0/s1
InChIKeyXSCPYVDNEAIZGI-NSHDSACASA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346
1-(3-bromo-4-chlorophenyl)but-3-en-1-amine
CID 79016120
(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171222569
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
1-(3-bromo-4-chlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 104770573
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
(1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171206339
2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol
CID 131332411
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171267796
(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
CID 171222556

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine?
The IUPAC name of (1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine (CID 130840491) is (1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine.
What is the SMILES notation for (1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine?
The canonical SMILES for (1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine is N[C@@H](CC1CC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine?
The InChIKey is XSCPYVDNEAIZGI-NSHDSACASA-N. The full InChI is InChI=1S/C11H13BrClN/c12-9-6-8(3-4-10(9)13)11(14)5-7-1-2-7/h3-4,6-7,11H,1-2,5,14H2/t11-/m0/s1.
What are the key properties of (1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine?
(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine has a molecular weight of 274.59 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine is sourced from PubChem (CID 130840491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).