cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine

C13H19NO2 — CID 178202486

IUPACcis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCOc1cc(OC)cc([C@H]2[C@H](N)C2(C)C)c1
InChIInChI=1S/C13H19NO2/c1-13(2)11(12(13)14)8-5-9(15-3)7-10(6-8)16-4/h5-7,11-12H,14H2,1-4H3/t11-,12-/m0/s1
InChIKeyYJUZHAIIQLQNQM-RYUDHWBXSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds3

About cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine

cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 178202486) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID178202486
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namecis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCOc1cc(OC)cc([C@H]2[C@H](N)C2(C)C)c1
InChIInChI=1S/C13H19NO2/c1-13(2)11(12(13)14)8-5-9(15-3)7-10(6-8)16-4/h5-7,11-12H,14H2,1-4H3/t11-,12-/m0/s1
InChIKeyYJUZHAIIQLQNQM-RYUDHWBXSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine (CID 178202486) is cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine is COc1cc(OC)cc([C@H]2[C@H](N)C2(C)C)c1.
What is the InChIKey of cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is YJUZHAIIQLQNQM-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2)11(12(13)14)8-5-9(15-3)7-10(6-8)16-4/h5-7,11-12H,14H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(3,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 178202486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).