N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline

C27H32N2 — CID 59974921

IUPACN-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1Nc1ccccc1/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C27H32N2/c1-18(2)23-14-10-15-24(19(3)4)27(23)28-17-22-13-7-8-16-25(22)29-26-20(5)11-9-12-21(26)6/h7-19,29H,1-6H3/b28-17+
InChIKeyDBWSDISNNMXCRW-OGLMXYFKSA-N
MW384.57 g/mol
LogP8.04
Rot. Bonds6

About N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline

N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline (PubChem CID 59974921) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline
PubChem CID59974921
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC NameN-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1Nc1ccccc1/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C27H32N2/c1-18(2)23-14-10-15-24(19(3)4)27(23)28-17-22-13-7-8-16-25(22)29-26-20(5)11-9-12-21(26)6/h7-19,29H,1-6H3/b28-17+
InChIKeyDBWSDISNNMXCRW-OGLMXYFKSA-N
XLogP8.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline?
The IUPAC name of N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline (CID 59974921) is N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline?
The canonical SMILES for N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline is Cc1cccc(C)c1Nc1ccccc1/C=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline?
The InChIKey is DBWSDISNNMXCRW-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H32N2/c1-18(2)23-14-10-15-24(19(3)4)27(23)28-17-22-13-7-8-16-25(22)29-26-20(5)11-9-12-21(26)6/h7-19,29H,1-6H3/b28-17+.
What are the key properties of N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline?
N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline has a molecular weight of 384.57 g/mol, XLogP of 8.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline is sourced from PubChem (CID 59974921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).