3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline

C16H19ClN2O — CID 61413705

IUPAC3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
SMILESCN(CCOc1cccc(N)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-19(12-13-4-2-5-14(17)10-13)8-9-20-16-7-3-6-15(18)11-16/h2-7,10-11H,8-9,12,18H2,1H3
InChIKeyWHKIXOWUEZFSHW-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.43
Rot. Bonds6

About 3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline

3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline (PubChem CID 61413705) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
PubChem CID61413705
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
SMILESCN(CCOc1cccc(N)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-19(12-13-4-2-5-14(17)10-13)8-9-20-16-7-3-6-15(18)11-16/h2-7,10-11H,8-9,12,18H2,1H3
InChIKeyWHKIXOWUEZFSHW-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.43
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

3-[3-[(4-chlorophenyl)methyl-methylamino]propoxy]aniline
CID 61414637
3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
CID 43587259
3-[3-[(3-bromophenyl)methyl-methylamino]propoxy]aniline
CID 61415944
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine
CID 55537534
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 131891193
3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892118
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
CID 61415614
(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 174734747
2-(3-chlorophenoxy)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 131934164

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline?
The IUPAC name of 3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline (CID 61413705) is 3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline?
The canonical SMILES for 3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline is CN(CCOc1cccc(N)c1)Cc1cccc(Cl)c1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline?
The InChIKey is WHKIXOWUEZFSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(12-13-4-2-5-14(17)10-13)8-9-20-16-7-3-6-15(18)11-16/h2-7,10-11H,8-9,12,18H2,1H3.
What are the key properties of 3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline?
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline has a molecular weight of 290.79 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline is sourced from PubChem (CID 61413705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).