cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride

C16H17BrClN — CID 118730240

IUPACcis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C16H16BrN.ClH/c17-14-8-6-13(7-9-14)15-11-16(15,18)10-12-4-2-1-3-5-12;/h1-9,15H,10-11,18H2;1H/t15-,16+;/m1./s1
InChIKeySJVPYVFGAAUJFG-RCPFAERMSA-N
MW338.68 g/mol
LogP4.30
Rot. Bonds3

About cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride

cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 118730240) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID118730240
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Namecis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C16H16BrN.ClH/c17-14-8-6-13(7-9-14)15-11-16(15,18)10-12-4-2-1-3-5-12;/h1-9,15H,10-11,18H2;1H/t15-,16+;/m1./s1
InChIKeySJVPYVFGAAUJFG-RCPFAERMSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

rac-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine hydrochloride
CID 56683886
2-(4-Bromophenyl)-2-phenylethanamine
CID 25139019
cis-(1S,2S)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 90197737
trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 90197739
2-(4-Bromophenyl)propan-2-amine
CID 23009116
Phenethylamine, p-bromo-alpha,alpha-dimethyl-, hydrochloride
CID 73838
1-(4-Bromophenyl)cyclopropanamine
CID 18710195
C-(2-Bromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-methylamine
CID 10063462
1-[(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine hydrochloride, trans
CID 44573001
cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 118712955
cis-(1S,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118730201
cis-(1S,2R)-2-(4-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118730217

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride (CID 118730240) is cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is SJVPYVFGAAUJFG-RCPFAERMSA-N. The full InChI is InChI=1S/C16H16BrN.ClH/c17-14-8-6-13(7-9-14)15-11-16(15,18)10-12-4-2-1-3-5-12;/h1-9,15H,10-11,18H2;1H/t15-,16+;/m1./s1.
What are the key properties of cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride?
cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 338.68 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118730240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).