N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline

C19H24N2 — CID 87946949

IUPACN-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
SMILES[H]/N=C\c1ccccc1Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H24N2/c1-13(2)16-9-7-10-17(14(3)4)19(16)21-18-11-6-5-8-15(18)12-20/h5-14,20-21H,1-4H3/b20-12-
InChIKeyPSZKVLODSLITCB-NDENLUEZSA-N
MW280.41 g/mol
LogP5.67
Rot. Bonds5

About N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline

N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline (PubChem CID 87946949) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
PubChem CID87946949
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC NameN-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
SMILES[H]/N=C\c1ccccc1Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H24N2/c1-13(2)16-9-7-10-17(14(3)4)19(16)21-18-11-6-5-8-15(18)12-20/h5-14,20-21H,1-4H3/b20-12-
InChIKeyPSZKVLODSLITCB-NDENLUEZSA-N
XLogP5.67
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 102262356
N-(2-methylphosphanylphenyl)-2,6-di(propan-2-yl)aniline
CID 58961695
N-(2-methanimidoylphenyl)hydroxylamine
CID 143516633
[2-(1-methoxyethyl)phenyl]methanimine
CID 20711806
N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 11286257
2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
CID 102529108
(2-methyl-6-propan-2-ylphenyl)methanimine
CID 130224626
2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine
CID 141233352
N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
CID 153406520
(2-iodophenyl)methanimine
CID 91565501
(2-methylsulfanylphenyl)methanimine
CID 88561931
N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 102155026

Frequently Asked Questions

What is the IUPAC name of N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline (CID 87946949) is N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline is [H]/N=C\c1ccccc1Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline?
The InChIKey is PSZKVLODSLITCB-NDENLUEZSA-N. The full InChI is InChI=1S/C19H24N2/c1-13(2)16-9-7-10-17(14(3)4)19(16)21-18-11-6-5-8-15(18)12-20/h5-14,20-21H,1-4H3/b20-12-.
What are the key properties of N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline?
N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline has a molecular weight of 280.41 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 87946949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).