N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline

C19H24N2 — CID 23848316

IUPACN,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline
SMILESCCc1cccc(/N=C/c2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C19H24N2/c1-4-16-8-7-9-18(14-16)20-15-17-10-12-19(13-11-17)21(5-2)6-3/h7-15H,4-6H2,1-3H3/b20-15+
InChIKeyCALYCMSGQQEOPU-HMMYKYKNSA-N
MW280.42 g/mol
LogP4.85
Rot. Bonds6

About N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline

N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline (PubChem CID 23848316) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline
PubChem CID23848316
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline
SMILESCCc1cccc(/N=C/c2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C19H24N2/c1-4-16-8-7-9-18(14-16)20-15-17-10-12-19(13-11-17)21(5-2)6-3/h7-15H,4-6H2,1-3H3/b20-15+
InChIKeyCALYCMSGQQEOPU-HMMYKYKNSA-N
XLogP4.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline?
The IUPAC name of N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline (CID 23848316) is N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline is CCc1cccc(/N=C/c2ccc(N(CC)CC)cc2)c1.
What is the InChIKey of N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline?
The InChIKey is CALYCMSGQQEOPU-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H24N2/c1-4-16-8-7-9-18(14-16)20-15-17-10-12-19(13-11-17)21(5-2)6-3/h7-15H,4-6H2,1-3H3/b20-15+.
What are the key properties of N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline?
N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline has a molecular weight of 280.42 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline is sourced from PubChem (CID 23848316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).