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

C11H13BrClN — CID 178197094

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

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

cis-(1R,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 178197094) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is cis-(1R,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID178197094
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Namecis-(1R,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)[C@H](N)[C@H]1c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClN/c1-11(2)9(10(11)14)6-3-4-8(13)7(12)5-6/h3-5,9-10H,14H2,1-2H3/t9-,10-/m1/s1
InChIKeyDZMZMUAXTRUSTR-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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Related Compounds

2-(3-bromo-4-chlorophenyl)-1,3-dioxole
CID 141077817
8-(3-bromo-4-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
CID 10271270
cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine
CID 178199783
5-(3-bromo-4-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 83241409
4-amino-5-(3-bromo-4-chlorophenyl)-1-tert-butylpyrrolidin-2-one
CID 83240847
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
4-(3-bromo-4-chlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 138544893
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
trans-(1R,2R)-2-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 154832180
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane
CID 138376214
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of cis-(1R,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine (CID 178197094) is cis-(1R,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine is CC1(C)[C@H](N)[C@H]1c1ccc(Cl)c(Br)c1.
What is the InChIKey of cis-(1R,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is DZMZMUAXTRUSTR-NXEZZACHSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-11(2)9(10(11)14)6-3-4-8(13)7(12)5-6/h3-5,9-10H,14H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of cis-(1R,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine?
cis-(1R,3S)-3-(3-bromo-4-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,3S)-3-(3-bromo-4-chlorophenyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 178197094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).