1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine

C22H23N — CID 135013516

IUPAC1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine
SMILESC[C@@H](NC(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N/c1-18(20-13-7-3-8-14-20)23-22(21-15-9-4-10-16-21)17-19-11-5-2-6-12-19/h2-16,18,22-23H,17H2,1H3/t18-,22?/m1/s1
InChIKeyJAQGHUIEZAQUHM-ZZWBGTBQSA-N
MW301.43 g/mol
LogP5.32
Rot. Bonds6

About 1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine

1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine (PubChem CID 135013516) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine.

Molecular Properties

Compound Name1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine
PubChem CID135013516
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine
SMILESC[C@@H](NC(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N/c1-18(20-13-7-3-8-14-20)23-22(21-15-9-4-10-16-21)17-19-11-5-2-6-12-19/h2-16,18,22-23H,17H2,1H3/t18-,22?/m1/s1
InChIKeyJAQGHUIEZAQUHM-ZZWBGTBQSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine?
The IUPAC name of 1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine (CID 135013516) is 1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine.
What is the SMILES notation for 1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine?
The canonical SMILES for 1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine is C[C@@H](NC(Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine?
The InChIKey is JAQGHUIEZAQUHM-ZZWBGTBQSA-N. The full InChI is InChI=1S/C22H23N/c1-18(20-13-7-3-8-14-20)23-22(21-15-9-4-10-16-21)17-19-11-5-2-6-12-19/h2-16,18,22-23H,17H2,1H3/t18-,22?/m1/s1.
What are the key properties of 1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine?
1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine has a molecular weight of 301.43 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-N-[(1R)-1-phenylethyl]ethanamine is sourced from PubChem (CID 135013516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).