cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine

C13H19NO — CID 76850585

IUPACcis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine
SMILESCC[C@@H]1C[C@]1(N)COCc1ccccc1
InChIInChI=1S/C13H19NO/c1-2-12-8-13(12,14)10-15-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3/t12-,13+/m1/s1
InChIKeyBWUCMBPEHJHZCB-OLZOCXBDSA-N
MW205.30 g/mol
LogP2.33
Rot. Bonds5

About cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine

cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine (PubChem CID 76850585) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine
PubChem CID76850585
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Namecis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine
SMILESCC[C@@H]1C[C@]1(N)COCc1ccccc1
InChIInChI=1S/C13H19NO/c1-2-12-8-13(12,14)10-15-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3/t12-,13+/m1/s1
InChIKeyBWUCMBPEHJHZCB-OLZOCXBDSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine?
The IUPAC name of cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine (CID 76850585) is cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine is CC[C@@H]1C[C@]1(N)COCc1ccccc1.
What is the InChIKey of cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine?
The InChIKey is BWUCMBPEHJHZCB-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-12-8-13(12,14)10-15-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3/t12-,13+/m1/s1.
What are the key properties of cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine?
cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-ethyl-1-(phenylmethoxymethyl)cyclopropan-1-amine is sourced from PubChem (CID 76850585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).