2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline

C44H52N2 — CID 70831411

IUPAC2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline
SMILESCCCCCc1ccc(N(c2ccccc2)c2ccc(CCc3ccc(C(C)(CC)Nc4ccc(C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C44H52N2/c1-7-9-11-14-38-24-30-43(35(5)32-38)46(40-15-12-10-13-16-40)41-27-22-37(23-28-41)19-18-36-20-25-39(26-21-36)44(6,8-2)45-42-29-17-33(3)31-34(42)4/h10,12-13,15-17,20-32,45H,7-9,11,14,18-19H2,1-6H3
InChIKeyPYDQZPFWXREWKS-UHFFFAOYSA-N
MW608.91 g/mol
LogP12.34
Rot. Bonds14

About 2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline

2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline (PubChem CID 70831411) has the molecular formula C44H52N2 and a molecular weight of 608.91 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline
PubChem CID70831411
Molecular FormulaC44H52N2
Molecular Weight608.91 g/mol
Exact Mass608.41
IUPAC Name2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline
SMILESCCCCCc1ccc(N(c2ccccc2)c2ccc(CCc3ccc(C(C)(CC)Nc4ccc(C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C44H52N2/c1-7-9-11-14-38-24-30-43(35(5)32-38)46(40-15-12-10-13-16-40)41-27-22-37(23-28-41)19-18-36-20-25-39(26-21-36)44(6,8-2)45-42-29-17-33(3)31-34(42)4/h10,12-13,15-17,20-32,45H,7-9,11,14,18-19H2,1-6H3
InChIKeyPYDQZPFWXREWKS-UHFFFAOYSA-N
XLogP12.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.91
LogP ≤ 512.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
Xylidine
CID 56846457
N,N'-Diphenylbenzidine
CID 68280
6,6'-Methylenebis(1,2-dihydro-2,2,4-trimethylquinoline)
CID 99342
(Phenanthren-9-yl)-phenyl-amine
CID 9943327
Spirit Blue
CID 16534
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(3-methylphenyl)-N4,N4'-diphenyl-
CID 103315
N,N'-bis[[4-(N-phenylanilino)phenyl]methyl]butane-1,4-diamine
CID 9916783
N-Tritylaniline
CID 138267
C.I. Solvent Blue 3
CID 24181123
Bis-biphenyl-4-yl-amine
CID 504244

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline?
The IUPAC name of 2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline (CID 70831411) is 2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline is CCCCCc1ccc(N(c2ccccc2)c2ccc(CCc3ccc(C(C)(CC)Nc4ccc(C)cc4C)cc3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline?
The InChIKey is PYDQZPFWXREWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52N2/c1-7-9-11-14-38-24-30-43(35(5)32-38)46(40-15-12-10-13-16-40)41-27-22-37(23-28-41)19-18-36-20-25-39(26-21-36)44(6,8-2)45-42-29-17-33(3)31-34(42)4/h10,12-13,15-17,20-32,45H,7-9,11,14,18-19H2,1-6H3.
What are the key properties of 2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline?
2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline has a molecular weight of 608.91 g/mol, XLogP of 12.34, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline is sourced from PubChem (CID 70831411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).