2-(diethylaminomethyl)-6-methylaniline;hydrochloride

C12H21ClN2 — CID 3044885

IUPAC2-(diethylaminomethyl)-6-methylaniline;hydrochloride
SMILESCCN(CC)Cc1cccc(C)c1N.Cl
InChIInChI=1S/C12H20N2.ClH/c1-4-14(5-2)9-11-8-6-7-10(3)12(11)13;/h6-8H,4-5,9,13H2,1-3H3;1H
InChIKeyWXNSPHLCBAIRNE-UHFFFAOYSA-N
MW228.77 g/mol
LogP2.84
Rot. Bonds4

About 2-(diethylaminomethyl)-6-methylaniline;hydrochloride

2-(diethylaminomethyl)-6-methylaniline;hydrochloride (PubChem CID 3044885) has the molecular formula C12H21ClN2 and a molecular weight of 228.77 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-6-methylaniline;hydrochloride.

Molecular Properties

Compound Name2-(diethylaminomethyl)-6-methylaniline;hydrochloride
PubChem CID3044885
Molecular FormulaC12H21ClN2
Molecular Weight228.77 g/mol
Exact Mass228.14
IUPAC Name2-(diethylaminomethyl)-6-methylaniline;hydrochloride
SMILESCCN(CC)Cc1cccc(C)c1N.Cl
InChIInChI=1S/C12H20N2.ClH/c1-4-14(5-2)9-11-8-6-7-10(3)12(11)13;/h6-8H,4-5,9,13H2,1-3H3;1H
InChIKeyWXNSPHLCBAIRNE-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethylaniline
CID 6896
2,6-Diethylaniline
CID 11369
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
2-Ethyl-6-methylaniline
CID 32485
2-amino-N-cyclohexyl-N-methylbenzylamine
CID 93648
Benzenamine, N,N-diethyl-2-methyl-
CID 69075
N,2,6-trimethylaniline
CID 136604
N,N,2,4,6-Pentamethylbenzenamine
CID 139365
Benzenemethanamine, 4-amino-N,N-dimethyl-
CID 308051
N,N,2,6-Tetramethylaniline
CID 69853
Benzenamine, 2,6-dimethyl-, hydrochloride (1:1)
CID 88899
2-(Pyrrolidin-1-ylmethyl)aniline
CID 264311

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-6-methylaniline;hydrochloride?
The IUPAC name of 2-(diethylaminomethyl)-6-methylaniline;hydrochloride (CID 3044885) is 2-(diethylaminomethyl)-6-methylaniline;hydrochloride.
What is the SMILES notation for 2-(diethylaminomethyl)-6-methylaniline;hydrochloride?
The canonical SMILES for 2-(diethylaminomethyl)-6-methylaniline;hydrochloride is CCN(CC)Cc1cccc(C)c1N.Cl.
What is the InChIKey of 2-(diethylaminomethyl)-6-methylaniline;hydrochloride?
The InChIKey is WXNSPHLCBAIRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.ClH/c1-4-14(5-2)9-11-8-6-7-10(3)12(11)13;/h6-8H,4-5,9,13H2,1-3H3;1H.
What are the key properties of 2-(diethylaminomethyl)-6-methylaniline;hydrochloride?
2-(diethylaminomethyl)-6-methylaniline;hydrochloride has a molecular weight of 228.77 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-6-methylaniline;hydrochloride is sourced from PubChem (CID 3044885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).