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

C13H19Cl2NO2 — CID 114846465

IUPAC5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1cc(Cl)ccc1CCl
InChIInChI=1S/C13H19Cl2NO2/c1-17-7-5-16(6-8-18-2)13-9-12(15)4-3-11(13)10-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeyGWYLBEXJCKBQOF-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.18
Rot. Bonds8

About 5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline

5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline (PubChem CID 114846465) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
PubChem CID114846465
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1cc(Cl)ccc1CCl
InChIInChI=1S/C13H19Cl2NO2/c1-17-7-5-16(6-8-18-2)13-9-12(15)4-3-11(13)10-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeyGWYLBEXJCKBQOF-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-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
CID 114861459
2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
CID 62493985
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849511
5-chloro-2-(chloromethyl)-N,N-bis(2-methylpropyl)aniline
CID 114846444
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 114851380
4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline
CID 114848806
2-[bis(2-methoxyethyl)amino]-5-chlorobenzamide
CID 139902291
5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline
CID 114846715
3-[2-(chloromethyl)-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285124
3-[5-chloro-2-(chloromethyl)-N-(2-methylpropyl)anilino]propanenitrile
CID 114846568
5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
CID 114846581
N-butyl-5-chloro-2-(chloromethyl)-N-methylaniline
CID 114846304

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline (CID 114846465) is 5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline is COCCN(CCOC)c1cc(Cl)ccc1CCl.
What is the InChIKey of 5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is GWYLBEXJCKBQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-17-7-5-16(6-8-18-2)13-9-12(15)4-3-11(13)10-14/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline?
5-chloro-2-(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 5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 114846465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).