4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline

C23H25N — CID 50900534

IUPAC4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline
SMILESCc1ccc(N([C@H](C)c2ccccc2)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H25N/c1-18-14-16-23(17-15-18)24(19(2)21-10-6-4-7-11-21)20(3)22-12-8-5-9-13-22/h4-17,19-20H,1-3H3/t19-,20+
InChIKeyLYNBOFMWFQCHMJ-BGYRXZFFSA-N
MW315.46 g/mol
LogP6.32
Rot. Bonds5

About 4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline

4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline (PubChem CID 50900534) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline
PubChem CID50900534
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline
SMILESCc1ccc(N([C@H](C)c2ccccc2)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H25N/c1-18-14-16-23(17-15-18)24(19(2)21-10-6-4-7-11-21)20(3)22-12-8-5-9-13-22/h4-17,19-20H,1-3H3/t19-,20+
InChIKeyLYNBOFMWFQCHMJ-BGYRXZFFSA-N
XLogP6.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline?
The IUPAC name of 4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline (CID 50900534) is 4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline.
What is the SMILES notation for 4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline?
The canonical SMILES for 4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline is Cc1ccc(N([C@H](C)c2ccccc2)[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline?
The InChIKey is LYNBOFMWFQCHMJ-BGYRXZFFSA-N. The full InChI is InChI=1S/C23H25N/c1-18-14-16-23(17-15-18)24(19(2)21-10-6-4-7-11-21)20(3)22-12-8-5-9-13-22/h4-17,19-20H,1-3H3/t19-,20+.
What are the key properties of 4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline?
4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline has a molecular weight of 315.46 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline is sourced from PubChem (CID 50900534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).