N,2,4-trimethylaniline;hydrochloride

C9H14ClN — CID 18686602

IUPACN,2,4-trimethylaniline;hydrochloride
SMILESCNc1ccc(C)cc1C.Cl
InChIInChI=1S/C9H13N.ClH/c1-7-4-5-9(10-3)8(2)6-7;/h4-6,10H,1-3H3;1H
InChIKeyXCAXAYBCNDWTTL-UHFFFAOYSA-N
MW171.67 g/mol
LogP2.77
Rot. Bonds1

About N,2,4-trimethylaniline;hydrochloride

N,2,4-trimethylaniline;hydrochloride (PubChem CID 18686602) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is N,2,4-trimethylaniline;hydrochloride.

Molecular Properties

Compound NameN,2,4-trimethylaniline;hydrochloride
PubChem CID18686602
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC NameN,2,4-trimethylaniline;hydrochloride
SMILESCNc1ccc(C)cc1C.Cl
InChIInChI=1S/C9H13N.ClH/c1-7-4-5-9(10-3)8(2)6-7;/h4-6,10H,1-3H3;1H
InChIKeyXCAXAYBCNDWTTL-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-4-phosphanylaniline
CID 155371449
2-hydrazinyl-N,5-dimethylaniline
CID 149056718
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
5-N-(2,4-dimethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532337
S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine
CID 142167305
2-(aminomethyl)-N,4-dimethylaniline
CID 82502533
1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen
CID 144996884
3-methyl-4-(methylamino)benzonitrile
CID 23343732
2-(2,4-dimethylanilino)ethynol
CID 144615243
2-chloro-N,4-dimethylaniline;formaldehyde
CID 177231502
4-(3-fluoro-5-methylphenyl)-N,2-dimethylaniline
CID 142124816
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethylaniline;hydrochloride?
The IUPAC name of N,2,4-trimethylaniline;hydrochloride (CID 18686602) is N,2,4-trimethylaniline;hydrochloride.
What is the SMILES notation for N,2,4-trimethylaniline;hydrochloride?
The canonical SMILES for N,2,4-trimethylaniline;hydrochloride is CNc1ccc(C)cc1C.Cl.
What is the InChIKey of N,2,4-trimethylaniline;hydrochloride?
The InChIKey is XCAXAYBCNDWTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.ClH/c1-7-4-5-9(10-3)8(2)6-7;/h4-6,10H,1-3H3;1H.
What are the key properties of N,2,4-trimethylaniline;hydrochloride?
N,2,4-trimethylaniline;hydrochloride has a molecular weight of 171.67 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethylaniline;hydrochloride is sourced from PubChem (CID 18686602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).