1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine

C14H24N2O — CID 174780826

IUPAC1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine
SMILESCC(=O)c1ccc(C)c(N)c1C.CCNCC
InChIInChI=1S/C10H13NO.C4H11N/c1-6-4-5-9(8(3)12)7(2)10(6)11;1-3-5-4-2/h4-5H,11H2,1-3H3;5H,3-4H2,1-2H3
InChIKeyRNTABOCVVRQXRL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.70
Rot. Bonds3

About 1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine

1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine (PubChem CID 174780826) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine.

Molecular Properties

Compound Name1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine
PubChem CID174780826
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine
SMILESCC(=O)c1ccc(C)c(N)c1C.CCNCC
InChIInChI=1S/C10H13NO.C4H11N/c1-6-4-5-9(8(3)12)7(2)10(6)11;1-3-5-4-2/h4-5H,11H2,1-3H3;5H,3-4H2,1-2H3
InChIKeyRNTABOCVVRQXRL-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,4-trimethylphenyl)ethanone
CID 590291
1-(3-amino-4-iodo-2-methylphenyl)ethanone
CID 171027183
N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide
CID 14722532
3-amino-1-(2-amino-3,4-dimethylphenyl)propan-1-one;formic acid
CID 171814255
2,3,6-trimethylaniline
CID 11958947
2-amino-N,N-diethyl-3,4-dimethylbenzamide
CID 70049003
ethyl 2-acetyl-4-aminobenzoate
CID 70477143
1-(2-chloro-3,4-dimethylphenyl)ethanone
CID 90395223
1-(2-acetyl-3,4-dimethylphenyl)ethanone;methane
CID 175205419
1-[2,4-dimethyl-3-(trifluoromethyl)phenyl]ethanone
CID 170996569
1-(2-amino-3-propyl-4-sulfanylphenyl)ethanone
CID 70447959
4-[2-(ethylamino)ethylamino]-2-methylbenzamide
CID 81279586

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine?
The IUPAC name of 1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine (CID 174780826) is 1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine.
What is the SMILES notation for 1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine?
The canonical SMILES for 1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine is CC(=O)c1ccc(C)c(N)c1C.CCNCC.
What is the InChIKey of 1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine?
The InChIKey is RNTABOCVVRQXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C4H11N/c1-6-4-5-9(8(3)12)7(2)10(6)11;1-3-5-4-2/h4-5H,11H2,1-3H3;5H,3-4H2,1-2H3.
What are the key properties of 1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine?
1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,4-dimethylphenyl)ethanone;N-ethylethanamine is sourced from PubChem (CID 174780826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).