2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine

C13H20ClNO2 — CID 86168423

IUPAC2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine
SMILESCC(C)COCc1ccc(OCCN)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-10(2)8-16-9-11-3-4-13(12(14)7-11)17-6-5-15/h3-4,7,10H,5-6,8-9,15H2,1-2H3
InChIKeyHMYDKMCGBVGJJP-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.85
Rot. Bonds7

About 2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine

2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine (PubChem CID 86168423) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine
PubChem CID86168423
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine
SMILESCC(C)COCc1ccc(OCCN)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-10(2)8-16-9-11-3-4-13(12(14)7-11)17-6-5-15/h3-4,7,10H,5-6,8-9,15H2,1-2H3
InChIKeyHMYDKMCGBVGJJP-UHFFFAOYSA-N
XLogP2.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine
CID 18956682
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
CID 94768384
O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine
CID 13380966
2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride
CID 171150550
[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 106786198
[3-chloro-4-(4-methylpentoxy)phenyl]methanol
CID 83159020
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
3-chloro-4-[2-(2-methylpropoxy)ethoxy]benzoic acid
CID 106449425
1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65180611
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine?
The IUPAC name of 2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine (CID 86168423) is 2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine.
What is the SMILES notation for 2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine?
The canonical SMILES for 2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine is CC(C)COCc1ccc(OCCN)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine?
The InChIKey is HMYDKMCGBVGJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(2)8-16-9-11-3-4-13(12(14)7-11)17-6-5-15/h3-4,7,10H,5-6,8-9,15H2,1-2H3.
What are the key properties of 2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine?
2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine has a molecular weight of 257.76 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine is sourced from PubChem (CID 86168423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).