4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline

C12H18ClNO2 — CID 65025631

IUPAC4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
SMILESCOCCOCCNc1ccc(CCl)cc1
InChIInChI=1S/C12H18ClNO2/c1-15-8-9-16-7-6-14-12-4-2-11(10-13)3-5-12/h2-5,14H,6-10H2,1H3
InChIKeyDAYOYBKEHDREDM-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.50
Rot. Bonds8

About 4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline

4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline (PubChem CID 65025631) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
PubChem CID65025631
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
SMILESCOCCOCCNc1ccc(CCl)cc1
InChIInChI=1S/C12H18ClNO2/c1-15-8-9-16-7-6-14-12-4-2-11(10-13)3-5-12/h2-5,14H,6-10H2,1H3
InChIKeyDAYOYBKEHDREDM-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104567187
3-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 65023623
4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561328
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298
4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline
CID 65024049
4-(chloromethyl)-N-(3,3-dimethylbutyl)aniline
CID 65025573
4-[2-(2-methoxyethoxy)ethylamino]benzene-1,2-dicarbonitrile
CID 107789333
3-[2-(2-methoxyethoxy)ethylamino]phenol
CID 3022408
N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline
CID 103178499
1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103409400

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline?
The IUPAC name of 4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline (CID 65025631) is 4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline.
What is the SMILES notation for 4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline?
The canonical SMILES for 4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline is COCCOCCNc1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline?
The InChIKey is DAYOYBKEHDREDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-15-8-9-16-7-6-14-12-4-2-11(10-13)3-5-12/h2-5,14H,6-10H2,1H3.
What are the key properties of 4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline?
4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline has a molecular weight of 243.73 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline is sourced from PubChem (CID 65025631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).