cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine

C11H15NO — CID 39236728

IUPACcis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
SMILESCCOc1ccccc1[C@@H]1C[C@@H]1N
InChIInChI=1S/C11H15NO/c1-2-13-11-6-4-3-5-8(11)9-7-10(9)12/h3-6,9-10H,2,7,12H2,1H3/t9-,10-/m0/s1
InChIKeyRFMFVIFQVFBMHN-UWVGGRQHSA-N
MW177.25 g/mol
LogP1.90
Rot. Bonds3

About cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine

cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine (PubChem CID 39236728) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
PubChem CID39236728
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namecis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
SMILESCCOc1ccccc1[C@@H]1C[C@@H]1N
InChIInChI=1S/C11H15NO/c1-2-13-11-6-4-3-5-8(11)9-7-10(9)12/h3-6,9-10H,2,7,12H2,1H3/t9-,10-/m0/s1
InChIKeyRFMFVIFQVFBMHN-UWVGGRQHSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine
CID 154972525
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
3-(2-ethoxyphenyl)cycloheptan-1-amine
CID 64505330
N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712834
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine
CID 94423440
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812
4-(2-ethoxyphenyl)-3-methylpiperidine
CID 66280150
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81034431

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine (CID 39236728) is cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine is CCOc1ccccc1[C@@H]1C[C@@H]1N.
What is the InChIKey of cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine?
The InChIKey is RFMFVIFQVFBMHN-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-13-11-6-4-3-5-8(11)9-7-10(9)12/h3-6,9-10H,2,7,12H2,1H3/t9-,10-/m0/s1.
What are the key properties of cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine?
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 39236728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).