1-[(1R,2S)-2-phenylcyclopropyl]ethanamine

C11H15N — CID 57373127

IUPAC1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
SMILESCC(N)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C11H15N/c1-8(12)10-7-11(10)9-5-3-2-4-6-9/h2-6,8,10-11H,7,12H2,1H3/t8?,10-,11+/m0/s1
InChIKeyVDXNKYRHOGJFPI-JCBFREDQSA-N
MW161.25 g/mol
LogP2.14
Rot. Bonds2

About 1-[(1R,2S)-2-phenylcyclopropyl]ethanamine

1-[(1R,2S)-2-phenylcyclopropyl]ethanamine (PubChem CID 57373127) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-[(1R,2S)-2-phenylcyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
PubChem CID57373127
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
SMILESCC(N)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C11H15N/c1-8(12)10-7-11(10)9-5-3-2-4-6-9/h2-6,8,10-11H,7,12H2,1H3/t8?,10-,11+/m0/s1
InChIKeyVDXNKYRHOGJFPI-JCBFREDQSA-N
XLogP2.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
(1S)-1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]ethanamine
CID 28912438
(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 124744909
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
(1S)-1-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 124745003
(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 29079515
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
(1S)-1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 124831457
(1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 29079331

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-phenylcyclopropyl]ethanamine?
The IUPAC name of 1-[(1R,2S)-2-phenylcyclopropyl]ethanamine (CID 57373127) is 1-[(1R,2S)-2-phenylcyclopropyl]ethanamine.
What is the SMILES notation for 1-[(1R,2S)-2-phenylcyclopropyl]ethanamine?
The canonical SMILES for 1-[(1R,2S)-2-phenylcyclopropyl]ethanamine is CC(N)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(1R,2S)-2-phenylcyclopropyl]ethanamine?
The InChIKey is VDXNKYRHOGJFPI-JCBFREDQSA-N. The full InChI is InChI=1S/C11H15N/c1-8(12)10-7-11(10)9-5-3-2-4-6-9/h2-6,8,10-11H,7,12H2,1H3/t8?,10-,11+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-phenylcyclopropyl]ethanamine?
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine has a molecular weight of 161.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-phenylcyclopropyl]ethanamine is sourced from PubChem (CID 57373127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).