N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline

C42H48N2 — CID 59805391

IUPACN-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline
SMILESCCN(Cc1ccc(C)cc1)c1ccc(CCc2ccc(C(C)c3ccc(N(CC)Cc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H48N2/c1-6-43(30-37-12-8-32(3)9-13-37)41-26-20-36(21-27-41)17-16-35-18-22-39(23-19-35)34(5)40-24-28-42(29-25-40)44(7-2)31-38-14-10-33(4)11-15-38/h8-15,18-29,34H,6-7,16-17,30-31H2,1-5H3
InChIKeyUWSRUVDDKKTFBA-UHFFFAOYSA-N
MW580.86 g/mol
LogP10.29
Rot. Bonds13

About N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline

N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline (PubChem CID 59805391) has the molecular formula C42H48N2 and a molecular weight of 580.86 g/mol. Its IUPAC name is N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline
PubChem CID59805391
Molecular FormulaC42H48N2
Molecular Weight580.86 g/mol
Exact Mass580.38
IUPAC NameN-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline
SMILESCCN(Cc1ccc(C)cc1)c1ccc(CCc2ccc(C(C)c3ccc(N(CC)Cc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H48N2/c1-6-43(30-37-12-8-32(3)9-13-37)41-26-20-36(21-27-41)17-16-35-18-22-39(23-19-35)34(5)40-24-28-42(29-25-40)44(7-2)31-38-14-10-33(4)11-15-38/h8-15,18-29,34H,6-7,16-17,30-31H2,1-5H3
InChIKeyUWSRUVDDKKTFBA-UHFFFAOYSA-N
XLogP10.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.86
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
CID 59105713
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
CID 70930364
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline
CID 59639048
N,N-diethyl-4-(1-phenylethyl)aniline
CID 68828092
4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline
CID 166855419
4-(2-aminoethyl)-N-benzyl-N-ethylaniline
CID 63783223
5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine
CID 55046705
butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
CID 142590749
4-[[4-[benzyl(ethyl)amino]phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N,N-diethylaniline
CID 58133446
N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylaniline
CID 79706917
N-ethyl-N-[(4-methylphenyl)methyl]butan-2-amine iodide
CID 158876232

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline (CID 59805391) is N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline is CCN(Cc1ccc(C)cc1)c1ccc(CCc2ccc(C(C)c3ccc(N(CC)Cc4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is UWSRUVDDKKTFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N2/c1-6-43(30-37-12-8-32(3)9-13-37)41-26-20-36(21-27-41)17-16-35-18-22-39(23-19-35)34(5)40-24-28-42(29-25-40)44(7-2)31-38-14-10-33(4)11-15-38/h8-15,18-29,34H,6-7,16-17,30-31H2,1-5H3.
What are the key properties of N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline?
N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 580.86 g/mol, XLogP of 10.29, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 59805391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).