(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine

C10H11BrClN — CID 130618338

IUPAC(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
SMILESN[C@H](c1ccc(Br)cc1Cl)C1CC1
InChIInChI=1S/C10H11BrClN/c11-7-3-4-8(9(12)5-7)10(13)6-1-2-6/h3-6,10H,1-2,13H2/t10-/m0/s1
InChIKeyUPILEPDLXXIJEP-JTQLQIEISA-N
MW260.56 g/mol
LogP3.51
Rot. Bonds2

About (S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine

(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine (PubChem CID 130618338) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is (S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
PubChem CID130618338
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
SMILESN[C@H](c1ccc(Br)cc1Cl)C1CC1
InChIInChI=1S/C10H11BrClN/c11-7-3-4-8(9(12)5-7)10(13)6-1-2-6/h3-6,10H,1-2,13H2/t10-/m0/s1
InChIKeyUPILEPDLXXIJEP-JTQLQIEISA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
4-[amino(cyclopropyl)methyl]-3-chloroaniline
CID 55268901
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(S)-(5-bromo-2-chlorophenyl)-(oxan-4-yl)methanamine
CID 131257309
(4-bromo-2-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 105012080
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191

Frequently Asked Questions

What is the IUPAC name of (S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine?
The IUPAC name of (S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine (CID 130618338) is (S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine.
What is the SMILES notation for (S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine?
The canonical SMILES for (S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine is N[C@H](c1ccc(Br)cc1Cl)C1CC1.
What is the InChIKey of (S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine?
The InChIKey is UPILEPDLXXIJEP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11BrClN/c11-7-3-4-8(9(12)5-7)10(13)6-1-2-6/h3-6,10H,1-2,13H2/t10-/m0/s1.
What are the key properties of (S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine?
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine has a molecular weight of 260.56 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine is sourced from PubChem (CID 130618338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).