cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride

C17H19BrClN — CID 118730223

IUPACcis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(CCc2ccccc2)C[C@@H]1c1cccc(Br)c1
InChIInChI=1S/C17H18BrN.ClH/c18-15-8-4-7-14(11-15)16-12-17(16,19)10-9-13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,19H2;1H/t16-,17+;/m1./s1
InChIKeyOOUNFGJUBOSDIC-PPPUBMIESA-N
MW352.70 g/mol
LogP4.69
Rot. Bonds4

About cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride

cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 118730223) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
PubChem CID118730223
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Namecis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(CCc2ccccc2)C[C@@H]1c1cccc(Br)c1
InChIInChI=1S/C17H18BrN.ClH/c18-15-8-4-7-14(11-15)16-12-17(16,19)10-9-13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,19H2;1H/t16-,17+;/m1./s1
InChIKeyOOUNFGJUBOSDIC-PPPUBMIESA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.70
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

rac-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine hydrochloride
CID 56673910
cis-(1S,2S)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 90197737
trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 90197739
C-(2-Bromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-methylamine
CID 10063462
1-[(1S,2S)-2-(3-bromophenyl)cyclopropyl]methanamine hydrochloride, trans
CID 25084024
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
cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118730221
cis-(1S,2R)-2-(4-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 118730224
cis-(1R,2R)-1-benzyl-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride
CID 118730240
trans-(1S,2R)-2-(4-bromophenyl)-1-phenylcyclopropan-1-amine;hydrochloride
CID 118732672

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride (CID 118730223) is cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@@]1(CCc2ccccc2)C[C@@H]1c1cccc(Br)c1.
What is the InChIKey of cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is OOUNFGJUBOSDIC-PPPUBMIESA-N. The full InChI is InChI=1S/C17H18BrN.ClH/c18-15-8-4-7-14(11-15)16-12-17(16,19)10-9-13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,19H2;1H/t16-,17+;/m1./s1.
What are the key properties of cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 352.70 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118730223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).