1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine

C23H25N — CID 100995182

IUPAC1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine
SMILESC[C@H](NC(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N/c1-19(22-15-9-4-10-16-22)24-23(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23-24H,17-18H2,1H3/t19-/m0/s1
InChIKeyRYELERBPHIXMNI-IBGZPJMESA-N
MW315.46 g/mol
LogP5.19
Rot. Bonds7

About 1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine

1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine (PubChem CID 100995182) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine.

Molecular Properties

Compound Name1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine
PubChem CID100995182
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine
SMILESC[C@H](NC(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N/c1-19(22-15-9-4-10-16-22)24-23(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23-24H,17-18H2,1H3/t19-/m0/s1
InChIKeyRYELERBPHIXMNI-IBGZPJMESA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine?
The IUPAC name of 1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine (CID 100995182) is 1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine.
What is the SMILES notation for 1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine?
The canonical SMILES for 1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine is C[C@H](NC(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine?
The InChIKey is RYELERBPHIXMNI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N/c1-19(22-15-9-4-10-16-22)24-23(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23-24H,17-18H2,1H3/t19-/m0/s1.
What are the key properties of 1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine?
1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine has a molecular weight of 315.46 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N-[(1S)-1-phenylethyl]propan-2-amine is sourced from PubChem (CID 100995182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).