2-(3-chloro-4-ethoxyphenoxy)ethanamine

C10H14ClNO2 — CID 96671591

IUPAC2-(3-chloro-4-ethoxyphenoxy)ethanamine
SMILESCCOc1ccc(OCCN)cc1Cl
InChIInChI=1S/C10H14ClNO2/c1-2-13-10-4-3-8(7-9(10)11)14-6-5-12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyBELKHVFYTBGRDE-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.08
Rot. Bonds5

About 2-(3-chloro-4-ethoxyphenoxy)ethanamine

2-(3-chloro-4-ethoxyphenoxy)ethanamine (PubChem CID 96671591) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenoxy)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenoxy)ethanamine
PubChem CID96671591
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-(3-chloro-4-ethoxyphenoxy)ethanamine
SMILESCCOc1ccc(OCCN)cc1Cl
InChIInChI=1S/C10H14ClNO2/c1-2-13-10-4-3-8(7-9(10)11)14-6-5-12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyBELKHVFYTBGRDE-UHFFFAOYSA-N
XLogP2.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-ethoxyphenoxy)propan-1-amine
CID 98783905
2-(4-ethoxy-3-fluorophenoxy)ethanamine
CID 96670711
2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride
CID 171150550
(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine
CID 82284249
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251
2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine
CID 18956682
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenoxy)ethanamine?
The IUPAC name of 2-(3-chloro-4-ethoxyphenoxy)ethanamine (CID 96671591) is 2-(3-chloro-4-ethoxyphenoxy)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenoxy)ethanamine?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenoxy)ethanamine is CCOc1ccc(OCCN)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenoxy)ethanamine?
The InChIKey is BELKHVFYTBGRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-2-13-10-4-3-8(7-9(10)11)14-6-5-12/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenoxy)ethanamine?
2-(3-chloro-4-ethoxyphenoxy)ethanamine has a molecular weight of 215.68 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenoxy)ethanamine is sourced from PubChem (CID 96671591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).