cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine

C10H12BrN — CID 94419650

IUPACcis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine
SMILESC[C@]1(c2ccc(Br)cc2)C[C@@H]1N
InChIInChI=1S/C10H12BrN/c1-10(6-9(10)12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-,10+/m0/s1
InChIKeyYYQMPFXOAZURNL-VHSXEESVSA-N
MW226.12 g/mol
LogP2.44
Rot. Bonds1

About cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine

cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine (PubChem CID 94419650) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine
PubChem CID94419650
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Namecis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine
SMILESC[C@]1(c2ccc(Br)cc2)C[C@@H]1N
InChIInChI=1S/C10H12BrN/c1-10(6-9(10)12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-,10+/m0/s1
InChIKeyYYQMPFXOAZURNL-VHSXEESVSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine
CID 94419746
2-methyl-2-(4-propylphenyl)cyclopropan-1-amine
CID 55136797
2-(3,4-dimethoxyphenyl)-2-methylcyclopropan-1-amine
CID 62387494
3-(4-bromophenyl)-2,2-dimethylcyclobutan-1-amine
CID 81414942
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 105432735
2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493
2-(3-fluoro-4-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389721
(3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine
CID 141332929
1-(4-bromophenyl)cyclohexane-1,4-diamine
CID 175562358
trans-(1R,2S)-1-(4-bromophenyl)-2-methylcyclopropane-1-carbonitrile
CID 177150775
1-[(2S,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]-4-bromobenzene
CID 10924264
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine?
The IUPAC name of cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine (CID 94419650) is cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine is C[C@]1(c2ccc(Br)cc2)C[C@@H]1N.
What is the InChIKey of cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine?
The InChIKey is YYQMPFXOAZURNL-VHSXEESVSA-N. The full InChI is InChI=1S/C10H12BrN/c1-10(6-9(10)12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine?
cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine has a molecular weight of 226.12 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 94419650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).