2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline

C27H35N3 — CID 69277634

IUPAC2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline
SMILESCCNc1ccc(C)cc1C(c1ccc(N(C)C)cc1)c1cc(C)ccc1NCC
InChIInChI=1S/C27H35N3/c1-7-28-25-15-9-19(3)17-23(25)27(21-11-13-22(14-12-21)30(5)6)24-18-20(4)10-16-26(24)29-8-2/h9-18,27-29H,7-8H2,1-6H3
InChIKeyJAIFKBVNYRFYDR-UHFFFAOYSA-N
MW401.60 g/mol
LogP6.41
Rot. Bonds8

About 2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline

2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline (PubChem CID 69277634) has the molecular formula C27H35N3 and a molecular weight of 401.60 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline
PubChem CID69277634
Molecular FormulaC27H35N3
Molecular Weight401.60 g/mol
Exact Mass401.28
IUPAC Name2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline
SMILESCCNc1ccc(C)cc1C(c1ccc(N(C)C)cc1)c1cc(C)ccc1NCC
InChIInChI=1S/C27H35N3/c1-7-28-25-15-9-19(3)17-23(25)27(21-11-13-22(14-12-21)30(5)6)24-18-20(4)10-16-26(24)29-8-2/h9-18,27-29H,7-8H2,1-6H3
InChIKeyJAIFKBVNYRFYDR-UHFFFAOYSA-N
XLogP6.41
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.60
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine
CID 59688677
N-[[2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylphenyl]carbamothioyl]-2-methylpropanamide
CID 57069002
4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105143249
2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline
CID 69278893
N,2-diethyl-4-methylaniline
CID 23348946
4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine
CID 43676865
N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline
CID 43772756
3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline
CID 105092548
4-[bis[4-(diethylamino)phenyl]methyl]-N-ethylnaphthalen-1-amine;hydrochloride
CID 70544608
2-(ethylamino)-N,5-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 62510944
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43081375
2-[bis[4-(propylamino)phenyl]methyl]-5-(dimethylamino)benzoic acid
CID 70188123

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline (CID 69277634) is 2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline is CCNc1ccc(C)cc1C(c1ccc(N(C)C)cc1)c1cc(C)ccc1NCC.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline?
The InChIKey is JAIFKBVNYRFYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3/c1-7-28-25-15-9-19(3)17-23(25)27(21-11-13-22(14-12-21)30(5)6)24-18-20(4)10-16-26(24)29-8-2/h9-18,27-29H,7-8H2,1-6H3.
What are the key properties of 2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline?
2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline has a molecular weight of 401.60 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline is sourced from PubChem (CID 69277634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).