(2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine

C18H23NO — CID 76961234

IUPAC(2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine
SMILESC[C@@H](COc1ccccc1)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-20-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyURCIJDUOBBSMII-HOTGVXAUSA-N
MW269.39 g/mol
LogP3.67
Rot. Bonds7

About (2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine

(2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine (PubChem CID 76961234) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine
PubChem CID76961234
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine
SMILESC[C@@H](COc1ccccc1)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-20-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyURCIJDUOBBSMII-HOTGVXAUSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine?
The IUPAC name of (2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine (CID 76961234) is (2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine?
The canonical SMILES for (2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine is C[C@@H](COc1ccccc1)N[C@@H](C)Cc1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine?
The InChIKey is URCIJDUOBBSMII-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-20-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine?
(2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-phenoxypropan-2-yl]-1-phenylpropan-2-amine is sourced from PubChem (CID 76961234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).