2-(3-amino-2-ethylphenyl)ethyl acetate

C12H17NO2 — CID 174410816

IUPAC2-(3-amino-2-ethylphenyl)ethyl acetate
SMILESCCc1c(N)cccc1CCOC(C)=O
InChIInChI=1S/C12H17NO2/c1-3-11-10(5-4-6-12(11)13)7-8-15-9(2)14/h4-6H,3,7-8,13H2,1-2H3
InChIKeyZPSRBCQSUJMDQU-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.94
Rot. Bonds4

About 2-(3-amino-2-ethylphenyl)ethyl acetate

2-(3-amino-2-ethylphenyl)ethyl acetate (PubChem CID 174410816) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-amino-2-ethylphenyl)ethyl acetate.

Molecular Properties

Compound Name2-(3-amino-2-ethylphenyl)ethyl acetate
PubChem CID174410816
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-amino-2-ethylphenyl)ethyl acetate
SMILESCCc1c(N)cccc1CCOC(C)=O
InChIInChI=1S/C12H17NO2/c1-3-11-10(5-4-6-12(11)13)7-8-15-9(2)14/h4-6H,3,7-8,13H2,1-2H3
InChIKeyZPSRBCQSUJMDQU-UHFFFAOYSA-N
XLogP1.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-ethylphenyl)acetic acid
CID 91873822
2-naphthalen-1-ylethyl acetate
CID 592920
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone
CID 156722332
2,3-diethylaniline;pyrene
CID 18406401
2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
CID 158105320
3-amino-2-ethylbenzoic acid
CID 18185344
3-ethyl-2-methylaniline
CID 19879636
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
2-phenylethyl acetate
CID 7654
2-azulen-6-ylethyl acetate
CID 593065
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethylphenyl)ethyl acetate?
The IUPAC name of 2-(3-amino-2-ethylphenyl)ethyl acetate (CID 174410816) is 2-(3-amino-2-ethylphenyl)ethyl acetate.
What is the SMILES notation for 2-(3-amino-2-ethylphenyl)ethyl acetate?
The canonical SMILES for 2-(3-amino-2-ethylphenyl)ethyl acetate is CCc1c(N)cccc1CCOC(C)=O.
What is the InChIKey of 2-(3-amino-2-ethylphenyl)ethyl acetate?
The InChIKey is ZPSRBCQSUJMDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-11-10(5-4-6-12(11)13)7-8-15-9(2)14/h4-6H,3,7-8,13H2,1-2H3.
What are the key properties of 2-(3-amino-2-ethylphenyl)ethyl acetate?
2-(3-amino-2-ethylphenyl)ethyl acetate has a molecular weight of 207.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethylphenyl)ethyl acetate is sourced from PubChem (CID 174410816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).