N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline

C18H22N2 — CID 835063

IUPACN,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline
SMILESCC(C)c1ccc(/C=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2/c1-14(2)16-7-5-15(6-8-16)13-19-17-9-11-18(12-10-17)20(3)4/h5-14H,1-4H3/b19-13+
InChIKeyYRXRFRAONGCGAY-CPNJWEJPSA-N
MW266.39 g/mol
LogP4.63
Rot. Bonds4

About N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline

N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline (PubChem CID 835063) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline
PubChem CID835063
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline
SMILESCC(C)c1ccc(/C=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2/c1-14(2)16-7-5-15(6-8-16)13-19-17-9-11-18(12-10-17)20(3)4/h5-14H,1-4H3/b19-13+
InChIKeyYRXRFRAONGCGAY-CPNJWEJPSA-N
XLogP4.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline?
The IUPAC name of N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline (CID 835063) is N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline?
The canonical SMILES for N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline is CC(C)c1ccc(/C=N/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline?
The InChIKey is YRXRFRAONGCGAY-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(2)16-7-5-15(6-8-16)13-19-17-9-11-18(12-10-17)20(3)4/h5-14H,1-4H3/b19-13+.
What are the key properties of N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline?
N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline has a molecular weight of 266.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline is sourced from PubChem (CID 835063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).