N-ethylaniline

C8H11N — CID 7670

IUPACN-ethylaniline
SMILESCCNc1ccccc1
InChIInChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyOJGMBLNIHDZDGS-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.12
Rot. Bonds2

About N-ethylaniline

N-ethylaniline (PubChem CID 7670) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-ethylaniline.

Molecular Properties

Compound NameN-ethylaniline
PubChem CID7670
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-ethylaniline
SMILESCCNc1ccccc1
InChIInChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyOJGMBLNIHDZDGS-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Acetanilide
CID 904
Diphenylamine
CID 11487
N,N-Dimethylaniline
CID 949
N-Phenyl-p-phenylenediamine
CID 7564
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Methylaniline
CID 7515
Formanilide
CID 7671
N,N-dimethyl-p-phenylenediamine
CID 7472
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061

Frequently Asked Questions

What is the IUPAC name of N-ethylaniline?
The IUPAC name of N-ethylaniline (CID 7670) is N-ethylaniline.
What is the SMILES notation for N-ethylaniline?
The canonical SMILES for N-ethylaniline is CCNc1ccccc1.
What is the InChIKey of N-ethylaniline?
The InChIKey is OJGMBLNIHDZDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of N-ethylaniline?
N-ethylaniline has a molecular weight of 121.18 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylaniline is sourced from PubChem (CID 7670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).