2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline

C13H19Cl2NO2 — CID 114067710

IUPAC2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1c(Cl)cccc1CCl
InChIInChI=1S/C13H19Cl2NO2/c1-17-8-6-16(7-9-18-2)13-11(10-14)4-3-5-12(13)15/h3-5H,6-10H2,1-2H3
InChIKeyXFNLUXJAFYDYEG-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.18
Rot. Bonds8

About 2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline

2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline (PubChem CID 114067710) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
PubChem CID114067710
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1c(Cl)cccc1CCl
InChIInChI=1S/C13H19Cl2NO2/c1-17-8-6-16(7-9-18-2)13-11(10-14)4-3-5-12(13)15/h3-5H,6-10H2,1-2H3
InChIKeyXFNLUXJAFYDYEG-UHFFFAOYSA-N
XLogP3.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114068782
1-chloro-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564283
5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114846465
3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 61447035
2-chloro-N-ethyl-N-(2-methoxyethyl)aniline
CID 139729852
2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)-N-methylethanamine
CID 167249778
3-[2-(chloromethyl)-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285124
2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 106890000
3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418447
2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide
CID 62496660
2-chloro-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 112616395
[2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol
CID 103339584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline (CID 114067710) is 2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline is COCCN(CCOC)c1c(Cl)cccc1CCl.
What is the InChIKey of 2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is XFNLUXJAFYDYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-17-8-6-16(7-9-18-2)13-11(10-14)4-3-5-12(13)15/h3-5H,6-10H2,1-2H3.
What are the key properties of 2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline?
2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 292.21 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 114067710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).