4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride

C14H17ClN2 — CID 172858062

IUPAC4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride
SMILESCc1cc(-c2ccc(N)cc2)cc(C)c1N.Cl
InChIInChI=1S/C14H16N2.ClH/c1-9-7-12(8-10(2)14(9)16)11-3-5-13(15)6-4-11;/h3-8H,15-16H2,1-2H3;1H
InChIKeyYZDXKQOSTPOURB-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.56
Rot. Bonds1

About 4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride

4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride (PubChem CID 172858062) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride
PubChem CID172858062
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride
SMILESCc1cc(-c2ccc(N)cc2)cc(C)c1N.Cl
InChIInChI=1S/C14H16N2.ClH/c1-9-7-12(8-10(2)14(9)16)11-3-5-13(15)6-4-11;/h3-8H,15-16H2,1-2H3;1H
InChIKeyYZDXKQOSTPOURB-UHFFFAOYSA-N
XLogP3.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride
CID 51066481
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-(2,6-dimethylphenyl)-2,6-dimethylaniline
CID 155131505
5-(4-aminophenyl)-2-methylaniline
CID 68788638
ethane;4-(4-methylphenyl)aniline
CID 142892908
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
4-(4-aminophenyl)-2-methylbenzonitrile
CID 142273516
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid
CID 175144937
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;sulfuric acid
CID 67612326
4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline
CID 131982760

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride?
The IUPAC name of 4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride (CID 172858062) is 4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride.
What is the SMILES notation for 4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride?
The canonical SMILES for 4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride is Cc1cc(-c2ccc(N)cc2)cc(C)c1N.Cl.
What is the InChIKey of 4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride?
The InChIKey is YZDXKQOSTPOURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.ClH/c1-9-7-12(8-10(2)14(9)16)11-3-5-13(15)6-4-11;/h3-8H,15-16H2,1-2H3;1H.
What are the key properties of 4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride?
4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride has a molecular weight of 248.76 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride is sourced from PubChem (CID 172858062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).