4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline

C46H50N2 — CID 162252807

IUPAC4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
SMILESCc1cc(C(C)c2ccccc2)c(N)c(C(C)c2ccccc2)c1.Cc1cc([C@H](C)c2ccccc2)c(N)c([C@H](C)c2ccccc2)c1
InChIInChI=1S/2C23H25N/c2*1-16-14-21(17(2)19-10-6-4-7-11-19)23(24)22(15-16)18(3)20-12-8-5-9-13-20/h2*4-15,17-18H,24H2,1-3H3/t17-,18-;/m1./s1
InChIKeyZYFBPBHHUGKBHS-JAXOOIEVSA-N
MW630.92 g/mol
LogP11.76
Rot. Bonds8

About 4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline

4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline (PubChem CID 162252807) has the molecular formula C46H50N2 and a molecular weight of 630.92 g/mol. Its IUPAC name is 4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline.

Molecular Properties

Compound Name4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
PubChem CID162252807
Molecular FormulaC46H50N2
Molecular Weight630.92 g/mol
Exact Mass630.40
IUPAC Name4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
SMILESCc1cc(C(C)c2ccccc2)c(N)c(C(C)c2ccccc2)c1.Cc1cc([C@H](C)c2ccccc2)c(N)c([C@H](C)c2ccccc2)c1
InChIInChI=1S/2C23H25N/c2*1-16-14-21(17(2)19-10-6-4-7-11-19)23(24)22(15-16)18(3)20-12-8-5-9-13-20/h2*4-15,17-18H,24H2,1-3H3/t17-,18-;/m1./s1
InChIKeyZYFBPBHHUGKBHS-JAXOOIEVSA-N
XLogP11.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.92
LogP ≤ 511.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethyl-1,3-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-2H-imidazole
CID 178184490
N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine
CID 11331952
4-methyl-2-(1-phenylethyl)benzenethiol
CID 24822888
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
4-methyl-6-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-2-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 101374457
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
CID 799505
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
4-[4-amino-2-(1-phenylethyl)phenyl]-3-methylaniline
CID 89362936
4-methyl-2-phenyl-1-(1-phenylethyl)benzene
CID 123164572
4-methyl-2-[1-(4-methylphenyl)ethyl]aniline
CID 86084630

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline?
The IUPAC name of 4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline (CID 162252807) is 4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline.
What is the SMILES notation for 4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline?
The canonical SMILES for 4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline is Cc1cc(C(C)c2ccccc2)c(N)c(C(C)c2ccccc2)c1.Cc1cc([C@H](C)c2ccccc2)c(N)c([C@H](C)c2ccccc2)c1.
What is the InChIKey of 4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline?
The InChIKey is ZYFBPBHHUGKBHS-JAXOOIEVSA-N. The full InChI is InChI=1S/2C23H25N/c2*1-16-14-21(17(2)19-10-6-4-7-11-19)23(24)22(15-16)18(3)20-12-8-5-9-13-20/h2*4-15,17-18H,24H2,1-3H3/t17-,18-;/m1./s1.
What are the key properties of 4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline?
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline has a molecular weight of 630.92 g/mol, XLogP of 11.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline is sourced from PubChem (CID 162252807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).