2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine

C10H13ClFNO — CID 81155936

IUPAC2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine
SMILESCCOC(CN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO/c1-2-14-10(6-13)7-3-4-9(12)8(11)5-7/h3-5,10H,2,6,13H2,1H3
InChIKeyXKVNRVDPSROWGU-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.52
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine

2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine (PubChem CID 81155936) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine
PubChem CID81155936
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine
SMILESCCOC(CN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO/c1-2-14-10(6-13)7-3-4-9(12)8(11)5-7/h3-5,10H,2,6,13H2,1H3
InChIKeyXKVNRVDPSROWGU-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 53276116
(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 95001932
2-(3,5-dichlorophenyl)-2-ethoxyethanamine
CID 66072782
2-ethoxy-2-(4-propan-2-ylphenyl)ethanamine
CID 66071740
2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
CID 83224808
1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 81145990
1-(3-chloro-4-fluorophenyl)-N,N-diethylethane-1,2-diamine
CID 81145758
2-ethoxy-2-naphthalen-2-ylethanamine
CID 53276132
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
CID 131492690
(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine
CID 118021269
1-(3-chloro-4-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 81146229

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine (CID 81155936) is 2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine is CCOC(CN)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine?
The InChIKey is XKVNRVDPSROWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-2-14-10(6-13)7-3-4-9(12)8(11)5-7/h3-5,10H,2,6,13H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine?
2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine has a molecular weight of 217.67 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine is sourced from PubChem (CID 81155936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).