2-(chloromethyl)-N,N,6-triethylaniline

C13H20ClN — CID 139534724

IUPAC2-(chloromethyl)-N,N,6-triethylaniline
SMILESCCc1cccc(CCl)c1N(CC)CC
InChIInChI=1S/C13H20ClN/c1-4-11-8-7-9-12(10-14)13(11)15(5-2)6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyFRKMDDUUWIEIPH-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.83
Rot. Bonds5

About 2-(chloromethyl)-N,N,6-triethylaniline

2-(chloromethyl)-N,N,6-triethylaniline (PubChem CID 139534724) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 2-(chloromethyl)-N,N,6-triethylaniline.

Molecular Properties

Compound Name2-(chloromethyl)-N,N,6-triethylaniline
PubChem CID139534724
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name2-(chloromethyl)-N,N,6-triethylaniline
SMILESCCc1cccc(CCl)c1N(CC)CC
InChIInChI=1S/C13H20ClN/c1-4-11-8-7-9-12(10-14)13(11)15(5-2)6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyFRKMDDUUWIEIPH-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-2-ethylbenzene
CID 524243
2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
2-(chloromethyl)-6-ethylaniline;hydrochloride
CID 13350301
N,N,2,3-tetraethylaniline
CID 18696135
[2-(chloromethyl)-6-ethylphenyl]hydrazine
CID 131028347
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate
CID 57065804
2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114067710
3-amino-N-(2,6-diethylphenyl)-N-ethylpropanamide
CID 28795326
CID 67277215
CID 67277215
ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 142426314
N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine
CID 112514390
1-N,1-N,3-N,3-N,6-N,6-N,8-N,8-N-octakis(2,6-diethylphenyl)pyrene-1,3,6,8-tetramine
CID 176876629

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N,N,6-triethylaniline?
The IUPAC name of 2-(chloromethyl)-N,N,6-triethylaniline (CID 139534724) is 2-(chloromethyl)-N,N,6-triethylaniline.
What is the SMILES notation for 2-(chloromethyl)-N,N,6-triethylaniline?
The canonical SMILES for 2-(chloromethyl)-N,N,6-triethylaniline is CCc1cccc(CCl)c1N(CC)CC.
What is the InChIKey of 2-(chloromethyl)-N,N,6-triethylaniline?
The InChIKey is FRKMDDUUWIEIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-4-11-8-7-9-12(10-14)13(11)15(5-2)6-3/h7-9H,4-6,10H2,1-3H3.
What are the key properties of 2-(chloromethyl)-N,N,6-triethylaniline?
2-(chloromethyl)-N,N,6-triethylaniline has a molecular weight of 225.76 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N,N,6-triethylaniline is sourced from PubChem (CID 139534724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).