cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride

C18H24Cl2N2 — CID 76967138

IUPACcis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1C[C@@H]1c1ccccc1.N[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/2C9H11N.2ClH/c2*10-9-6-8(9)7-4-2-1-3-5-7;;/h2*1-5,8-9H,6,10H2;2*1H/t2*8-,9-;;/m10../s1
InChIKeyWSDYZPRQIJGYFP-VEDRLTCRSA-N
MW339.31 g/mol
LogP3.85
Rot. Bonds2

About cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride

cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride (PubChem CID 76967138) has the molecular formula C18H24Cl2N2 and a molecular weight of 339.31 g/mol. Its IUPAC name is cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound Namecis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
PubChem CID76967138
Molecular FormulaC18H24Cl2N2
Molecular Weight339.31 g/mol
Exact Mass338.13
IUPAC Namecis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1C[C@@H]1c1ccccc1.N[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/2C9H11N.2ClH/c2*10-9-6-8(9)7-4-2-1-3-5-7;;/h2*1-5,8-9H,6,10H2;2*1H/t2*8-,9-;;/m10../s1
InChIKeyWSDYZPRQIJGYFP-VEDRLTCRSA-N
XLogP3.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 75994277
CID 75994277
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
(1R)-2-(3-phenylphenyl)cyclopropan-1-amine
CID 20666508
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine
CID 98233070
2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride
CID 154961449
2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 67382394
4-[(1S,2R)-2-aminocyclopropyl]benzoic acid;hydrochloride
CID 140688673
trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 170914369
trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine
CID 130295385
2-(4-bromophenyl)cyclopropan-1-amine
CID 21190524
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride?
The IUPAC name of cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride (CID 76967138) is cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride?
The canonical SMILES for cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride is Cl.Cl.N[C@@H]1C[C@@H]1c1ccccc1.N[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride?
The InChIKey is WSDYZPRQIJGYFP-VEDRLTCRSA-N. The full InChI is InChI=1S/2C9H11N.2ClH/c2*10-9-6-8(9)7-4-2-1-3-5-7;;/h2*1-5,8-9H,6,10H2;2*1H/t2*8-,9-;;/m10../s1.
What are the key properties of cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride?
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride has a molecular weight of 339.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 76967138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).