[(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine

C12H15BrClN — CID 178198075

IUPAC[(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1cc(Cl)ccc1Br
InChIInChI=1S/C12H15BrClN/c1-12(2)9(6-15)11(12)8-5-7(14)3-4-10(8)13/h3-5,9,11H,6,15H2,1-2H3/t9-,11-/m1/s1
InChIKeyGOERPABRSZXDDZ-MWLCHTKSSA-N
MW288.62 g/mol
LogP3.80
Rot. Bonds2

About [(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine

[(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178198075) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is [(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID178198075
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name[(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1cc(Cl)ccc1Br
InChIInChI=1S/C12H15BrClN/c1-12(2)9(6-15)11(12)8-5-7(14)3-4-10(8)13/h3-5,9,11H,6,15H2,1-2H3/t9-,11-/m1/s1
InChIKeyGOERPABRSZXDDZ-MWLCHTKSSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197054
[3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine
CID 82381661
[(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine
CID 178198085
[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
[(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 178197960
N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine
CID 114229724
[(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 178197130
[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66159366
(2,2-dimethyl-3-quinolin-4-ylcyclopropyl)methanamine
CID 114229374
5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79496464
tert-butyl N-[3-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]-4-chlorophenyl]carbamate
CID 178199326
(4S)-4-(2-bromo-5-chlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187985

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine (CID 178198075) is [(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine is CC1(C)[C@H](CN)[C@H]1c1cc(Cl)ccc1Br.
What is the InChIKey of [(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is GOERPABRSZXDDZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H15BrClN/c1-12(2)9(6-15)11(12)8-5-7(14)3-4-10(8)13/h3-5,9,11H,6,15H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of [(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine?
[(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 288.62 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178198075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).