4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline

C24H28N2 — CID 68660073

IUPAC4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
SMILESCc1cc(CCc2ccc(CCc3ccc(N)c(C)c3)cc2)ccc1N
InChIInChI=1S/C24H28N2/c1-17-15-21(11-13-23(17)25)9-7-19-3-5-20(6-4-19)8-10-22-12-14-24(26)18(2)16-22/h3-6,11-16H,7-10,25-26H2,1-2H3
InChIKeyRNCLEMNEEVYSDG-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.04
Rot. Bonds6

About 4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline

4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline (PubChem CID 68660073) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline.

Molecular Properties

Compound Name4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
PubChem CID68660073
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
SMILESCc1cc(CCc2ccc(CCc3ccc(N)c(C)c3)cc2)ccc1N
InChIInChI=1S/C24H28N2/c1-17-15-21(11-13-23(17)25)9-7-19-3-5-20(6-4-19)8-10-22-12-14-24(26)18(2)16-22/h3-6,11-16H,7-10,25-26H2,1-2H3
InChIKeyRNCLEMNEEVYSDG-UHFFFAOYSA-N
XLogP5.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.04
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-[2-[4-[5-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]pentyl]phenyl]ethyl]-2-methylaniline
CID 139903302
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
CID 155059275
4-(aminomethyl)-2-methylaniline
CID 18727732
4-[[4-[14-[4-[(4-amino-3-methylphenyl)methyl]phenyl]tetradecyl]phenyl]methyl]-2-methylaniline
CID 22920596
4-[[4-[16-[4-[(4-amino-3-methylphenyl)methyl]phenyl]hexadecyl]phenyl]methyl]-2-methylaniline
CID 22919944
4-heptyl-2-methylaniline
CID 23348805
4-(chloromethyl)-2-methylaniline
CID 15510059
4-(cyclopropylmethyl)-2-methylaniline
CID 131504223
4-[2-(4-amino-3-methylphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174481865
4-[2-[4-[[4-[2-(4-amino-2,5-dimethylphenyl)ethyl]phenyl]methyl]phenyl]ethyl]-2,5-dimethylaniline
CID 139903320
4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline
CID 22061774
4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]-3-methylphenyl]propyl]-2-methylphenyl]ethyl]aniline
CID 139903339

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline?
The IUPAC name of 4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline (CID 68660073) is 4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline.
What is the SMILES notation for 4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline?
The canonical SMILES for 4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline is Cc1cc(CCc2ccc(CCc3ccc(N)c(C)c3)cc2)ccc1N.
What is the InChIKey of 4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline?
The InChIKey is RNCLEMNEEVYSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-17-15-21(11-13-23(17)25)9-7-19-3-5-20(6-4-19)8-10-22-12-14-24(26)18(2)16-22/h3-6,11-16H,7-10,25-26H2,1-2H3.
What are the key properties of 4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline?
4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline has a molecular weight of 344.50 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline is sourced from PubChem (CID 68660073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).