trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine

C18H18N2 — CID 46868848

IUPACtrans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine
SMILESC1=Nc2ccccc2C1CN[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2/c1-2-6-13(7-3-1)16-10-18(16)20-12-14-11-19-17-9-5-4-8-15(14)17/h1-9,11,14,16,18,20H,10,12H2/t14?,16-,18+/m0/s1
InChIKeyOPYHBYZPIGUUJT-RNYWFIABSA-N
MW262.36 g/mol
LogP3.63
Rot. Bonds4

About trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine

trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine (PubChem CID 46868848) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine
PubChem CID46868848
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Nametrans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine
SMILESC1=Nc2ccccc2C1CN[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2/c1-2-6-13(7-3-1)16-10-18(16)20-12-14-11-19-17-9-5-4-8-15(14)17/h1-9,11,14,16,18,20H,10,12H2/t14?,16-,18+/m0/s1
InChIKeyOPYHBYZPIGUUJT-RNYWFIABSA-N
XLogP3.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-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-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine (CID 46868848) is trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine is C1=Nc2ccccc2C1CN[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine?
The InChIKey is OPYHBYZPIGUUJT-RNYWFIABSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-6-13(7-3-1)16-10-18(16)20-12-14-11-19-17-9-5-4-8-15(14)17/h1-9,11,14,16,18,20H,10,12H2/t14?,16-,18+/m0/s1.
What are the key properties of trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine?
trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine has a molecular weight of 262.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 46868848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).