4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline

C41H46N2 — CID 68854577

IUPAC4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(-c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccc(N(CC)CC)cc2C)c(C)c1
InChIInChI=1S/C41H46N2/c1-7-42(8-2)35-25-27-37(31(5)29-35)38-23-17-18-24-40(38)41(33-19-13-11-14-20-33,34-21-15-12-16-22-34)39-28-26-36(30-32(39)6)43(9-3)10-4/h11-30H,7-10H2,1-6H3
InChIKeyOMWPTXMNRRSXMA-UHFFFAOYSA-N
MW566.83 g/mol
LogP10.05
Rot. Bonds11

About 4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline

4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline (PubChem CID 68854577) has the molecular formula C41H46N2 and a molecular weight of 566.83 g/mol. Its IUPAC name is 4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline.

Molecular Properties

Compound Name4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline
PubChem CID68854577
Molecular FormulaC41H46N2
Molecular Weight566.83 g/mol
Exact Mass566.37
IUPAC Name4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(-c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccc(N(CC)CC)cc2C)c(C)c1
InChIInChI=1S/C41H46N2/c1-7-42(8-2)35-25-27-37(31(5)29-35)38-23-17-18-24-40(38)41(33-19-13-11-14-20-33,34-21-15-12-16-22-34)39-28-26-36(30-32(39)6)43(9-3)10-4/h11-30H,7-10H2,1-6H3
InChIKeyOMWPTXMNRRSXMA-UHFFFAOYSA-N
XLogP10.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.83
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline
CID 59366408
4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline
CID 90719278
4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline
CID 168554266
N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine
CID 91745838
4-(1,1-diphenylethyl)-N,N-diethylaniline
CID 139052612
4-[5-[4-(diethylamino)-2-methylphenyl]-2,3,4-trimethoxy-6-methylphenyl]-N,N-diethyl-3-methylaniline
CID 87854299
(9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol
CID 174356389
[4-[[4-[[4-[bis[4-(dimethylamino)phenyl]-hydroxymethyl]-N-ethyl-3-methylanilino]methyl]phenyl]methyl-ethylamino]-2-methylphenyl]-bis[4-(dimethylamino)phenyl]methanol
CID 71440620
1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine
CID 62789738
N,N-diethylaniline
CID 7061
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526
N,N-diethylbenzo[d][1]benzoxepin-3-amine
CID 69313406

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline?
The IUPAC name of 4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline (CID 68854577) is 4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline.
What is the SMILES notation for 4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline?
The canonical SMILES for 4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline is CCN(CC)c1ccc(-c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccc(N(CC)CC)cc2C)c(C)c1.
What is the InChIKey of 4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline?
The InChIKey is OMWPTXMNRRSXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46N2/c1-7-42(8-2)35-25-27-37(31(5)29-35)38-23-17-18-24-40(38)41(33-19-13-11-14-20-33,34-21-15-12-16-22-34)39-28-26-36(30-32(39)6)43(9-3)10-4/h11-30H,7-10H2,1-6H3.
What are the key properties of 4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline?
4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline has a molecular weight of 566.83 g/mol, XLogP of 10.05, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline is sourced from PubChem (CID 68854577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).