2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline

C42H42N2 — CID 159556825

IUPAC2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline
SMILESCc1ccc(CCc2ccccc2)cc1N.Cc1ccc(CCc2ccccc2)cc1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H25N.C15H17N/c1-21-12-13-23(15-14-22-8-4-2-5-9-22)20-27(21)28-26-18-16-25(17-19-26)24-10-6-3-7-11-24;1-12-7-8-14(11-15(12)16)10-9-13-5-3-2-4-6-13/h2-13,16-20,28H,14-15H2,1H3;2-8,11H,9-10,16H2,1H3
InChIKeyMGCFWYRSOWAFJG-UHFFFAOYSA-N
MW574.81 g/mol
LogP10.55
Rot. Bonds9

About 2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline

2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline (PubChem CID 159556825) has the molecular formula C42H42N2 and a molecular weight of 574.81 g/mol. Its IUPAC name is 2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline
PubChem CID159556825
Molecular FormulaC42H42N2
Molecular Weight574.81 g/mol
Exact Mass574.33
IUPAC Name2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline
SMILESCc1ccc(CCc2ccccc2)cc1N.Cc1ccc(CCc2ccccc2)cc1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H25N.C15H17N/c1-21-12-13-23(15-14-22-8-4-2-5-9-22)20-27(21)28-26-18-16-25(17-19-26)24-10-6-3-7-11-24;1-12-7-8-14(11-15(12)16)10-9-13-5-3-2-4-6-13/h2-13,16-20,28H,14-15H2,1H3;2-8,11H,9-10,16H2,1H3
InChIKeyMGCFWYRSOWAFJG-UHFFFAOYSA-N
XLogP10.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.81
LogP ≤ 510.55
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

N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline
CID 158474341
N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
CID 71021184
2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
CID 143291717
2-(benzylsulfonylamino)-4-(2-phenylethyl)benzoic acid;2-methyl-5-(2-phenylethyl)aniline;N-[2-methyl-5-(2-phenylethyl)phenyl]-1-phenylmethanesulfonamide
CID 160840316
N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
CID 39395711
2-(2-methylanilino)-4-(2-phenylethyl)benzoic acid
CID 68963998
5-(2-aminoethyl)-2-methylaniline
CID 58409288
2-[4-[2-(3-chloro-4-methylphenyl)ethyl]anilino]benzoic acid
CID 22269838
4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073
N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide
CID 39433050
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline
CID 91580530

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline (CID 159556825) is 2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline is Cc1ccc(CCc2ccccc2)cc1N.Cc1ccc(CCc2ccccc2)cc1Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline?
The InChIKey is MGCFWYRSOWAFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N.C15H17N/c1-21-12-13-23(15-14-22-8-4-2-5-9-22)20-27(21)28-26-18-16-25(17-19-26)24-10-6-3-7-11-24;1-12-7-8-14(11-15(12)16)10-9-13-5-3-2-4-6-13/h2-13,16-20,28H,14-15H2,1H3;2-8,11H,9-10,16H2,1H3.
What are the key properties of 2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline?
2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline has a molecular weight of 574.81 g/mol, XLogP of 10.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 159556825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).