N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline

C26H39NO2 — CID 59819325

IUPACN,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline
SMILESCOc1cccc(N(c2cccc(OC)c2C(C)(C)C)C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C26H39NO2/c1-24(2,3)22-18(14-12-16-20(22)28-10)27(26(7,8)9)19-15-13-17-21(29-11)23(19)25(4,5)6/h12-17H,1-11H3
InChIKeyCSNKOTCNSAGIKX-UHFFFAOYSA-N
MW397.60 g/mol
LogP7.24
Rot. Bonds4

About N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline

N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline (PubChem CID 59819325) has the molecular formula C26H39NO2 and a molecular weight of 397.60 g/mol. Its IUPAC name is N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline.

Molecular Properties

Compound NameN,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline
PubChem CID59819325
Molecular FormulaC26H39NO2
Molecular Weight397.60 g/mol
Exact Mass397.30
IUPAC NameN,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline
SMILESCOc1cccc(N(c2cccc(OC)c2C(C)(C)C)C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C26H39NO2/c1-24(2,3)22-18(14-12-16-20(22)28-10)27(26(7,8)9)19-15-13-17-21(29-11)23(19)25(4,5)6/h12-17H,1-11H3
InChIKeyCSNKOTCNSAGIKX-UHFFFAOYSA-N
XLogP7.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-1-iodo-3-methoxybenzene
CID 146377094
1,3-dimethoxy-2-(trichloromethyl)benzene
CID 174688195
2-tert-butyl-3-methoxybenzoyl chloride
CID 143795822
[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
CID 19417903
1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 116809899
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311
2-(2,6-dimethoxyphenyl)-2-hydroxypropanediamide
CID 70450290
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
3-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 116811364
2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde
CID 87481977
3-(2,6-dimethoxyphenyl)pentan-3-amine
CID 116809908
1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol
CID 83950086

Frequently Asked Questions

What is the IUPAC name of N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline?
The IUPAC name of N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline (CID 59819325) is N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline.
What is the SMILES notation for N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline?
The canonical SMILES for N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline is COc1cccc(N(c2cccc(OC)c2C(C)(C)C)C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline?
The InChIKey is CSNKOTCNSAGIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO2/c1-24(2,3)22-18(14-12-16-20(22)28-10)27(26(7,8)9)19-15-13-17-21(29-11)23(19)25(4,5)6/h12-17H,1-11H3.
What are the key properties of N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline?
N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline has a molecular weight of 397.60 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline is sourced from PubChem (CID 59819325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).