3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline

C16H19ClN2O — CID 114863221

IUPAC3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2cc(Cl)ccc2CCN)c1
InChIInChI=1S/C16H19ClN2O/c1-19(2)14-4-3-5-15(11-14)20-16-10-13(17)7-6-12(16)8-9-18/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyPJYQFLNNMXVNAO-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.70
Rot. Bonds5

About 3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline

3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline (PubChem CID 114863221) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline
PubChem CID114863221
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2cc(Cl)ccc2CCN)c1
InChIInChI=1S/C16H19ClN2O/c1-19(2)14-4-3-5-15(11-14)20-16-10-13(17)7-6-12(16)8-9-18/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyPJYQFLNNMXVNAO-UHFFFAOYSA-N
XLogP3.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251021
3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251232
3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline
CID 106533464
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000
3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350827
[3-chloro-4-[3-(dimethylamino)phenoxy]phenyl]methanol
CID 81152356
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine
CID 114862908
2-[3-(dimethylamino)phenoxy]-4-methylaniline
CID 26189579
3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
CID 102663561

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline (CID 114863221) is 3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline is CN(C)c1cccc(Oc2cc(Cl)ccc2CCN)c1.
What is the InChIKey of 3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline?
The InChIKey is PJYQFLNNMXVNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(2)14-4-3-5-15(11-14)20-16-10-13(17)7-6-12(16)8-9-18/h3-7,10-11H,8-9,18H2,1-2H3.
What are the key properties of 3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline?
3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline has a molecular weight of 290.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline is sourced from PubChem (CID 114863221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).