(2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine

C17H21N — CID 12874569

IUPAC(2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine
SMILESC[C@@H](Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m0/s1
InChIKeyMRVIUBHXZKIUJZ-HNNXBMFYSA-N
MW239.36 g/mol
LogP3.45
Rot. Bonds6

About (2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine

(2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine (PubChem CID 12874569) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine
PubChem CID12874569
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine
SMILESC[C@@H](Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m0/s1
InChIKeyMRVIUBHXZKIUJZ-HNNXBMFYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine?
The IUPAC name of (2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine (CID 12874569) is (2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine.
What is the SMILES notation for (2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine?
The canonical SMILES for (2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine is C[C@@H](Cc1ccccc1)NCCc1ccccc1.
What is the InChIKey of (2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine?
The InChIKey is MRVIUBHXZKIUJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine?
(2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-N-(2-phenylethyl)propan-2-amine is sourced from PubChem (CID 12874569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).