(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine

C17H21N — CID 5311017

IUPAC(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine
SMILESC[C@@H](Cc1ccccc1)N(C)Cc1ccccc1
InChIInChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1
InChIKeyYXKTVDFXDRQTKV-HNNXBMFYSA-N
MW239.36 g/mol
LogP3.75
Rot. Bonds5

About (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine

(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine (PubChem CID 5311017) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine
PubChem CID5311017
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine
SMILESC[C@@H](Cc1ccccc1)N(C)Cc1ccccc1
InChIInChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1
InChIKeyYXKTVDFXDRQTKV-HNNXBMFYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine (CID 5311017) is (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine is C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine?
The InChIKey is YXKTVDFXDRQTKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine?
(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 5311017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).