trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine

C12H17N — CID 90206365

IUPACtrans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine
SMILESCC(C)[C@@]1(N)C[C@H]1c1ccccc1
InChIInChI=1S/C12H17N/c1-9(2)12(13)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyDBOYOHXQLBCZAO-RYUDHWBXSA-N
MW175.28 g/mol
LogP2.53
Rot. Bonds2

About trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine

trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine (PubChem CID 90206365) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine
PubChem CID90206365
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Nametrans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine
SMILESCC(C)[C@@]1(N)C[C@H]1c1ccccc1
InChIInChI=1S/C12H17N/c1-9(2)12(13)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyDBOYOHXQLBCZAO-RYUDHWBXSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-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 trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine (CID 90206365) is trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine is CC(C)[C@@]1(N)C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine?
The InChIKey is DBOYOHXQLBCZAO-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)12(13)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine?
trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 90206365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).