cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine

C11H13BrClN — CID 178197065

IUPACcis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)[C@H](N)[C@H]1c1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClN/c1-11(2)9(10(11)14)7-4-3-6(12)5-8(7)13/h3-5,9-10H,14H2,1-2H3/t9-,10-/m1/s1
InChIKeyQVQJYKTWTDGDBL-NXEZZACHSA-N
MW274.59 g/mol
LogP3.55
Rot. Bonds1

About cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine

cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 178197065) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID178197065
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Namecis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)[C@H](N)[C@H]1c1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClN/c1-11(2)9(10(11)14)7-4-3-6(12)5-8(7)13/h3-5,9-10H,14H2,1-2H3/t9-,10-/m1/s1
InChIKeyQVQJYKTWTDGDBL-NXEZZACHSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine (CID 178197065) is cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine is CC1(C)[C@H](N)[C@H]1c1ccc(Br)cc1Cl.
What is the InChIKey of cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is QVQJYKTWTDGDBL-NXEZZACHSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-11(2)9(10(11)14)7-4-3-6(12)5-8(7)13/h3-5,9-10H,14H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine?
cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 274.59 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 178197065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).