4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride

C16H21ClN2 — CID 11579985

IUPAC4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride
SMILESCc1c(-c2ccc(N)cc2)ccc(N(C)C)c1C.Cl
InChIInChI=1S/C16H20N2.ClH/c1-11-12(2)16(18(3)4)10-9-15(11)13-5-7-14(17)8-6-13;/h5-10H,17H2,1-4H3;1H
InChIKeyZYSNFLGNECWXEK-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.04
Rot. Bonds2

About 4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride

4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride (PubChem CID 11579985) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride.

Molecular Properties

Compound Name4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride
PubChem CID11579985
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride
SMILESCc1c(-c2ccc(N)cc2)ccc(N(C)C)c1C.Cl
InChIInChI=1S/C16H20N2.ClH/c1-11-12(2)16(18(3)4)10-9-15(11)13-5-7-14(17)8-6-13;/h5-10H,17H2,1-4H3;1H
InChIKeyZYSNFLGNECWXEK-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.04
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

4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 19009144
4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 166464293
2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline
CID 67533638
N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine
CID 163176393
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
1-N,1-N,2,4-tetramethylbenzene-1,3-diamine
CID 66717231
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine
CID 67826937
3-(4-aminophenyl)-2,5-dimethylaniline
CID 68786442
ethane;4-(4-methylphenyl)aniline
CID 142892908
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
3-(4-aminophenyl)-2-methyl-6,7-dioxabicyclo[3.2.1]octa-1,3,5(8)-trien-8-amine
CID 141013280

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride?
The IUPAC name of 4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride (CID 11579985) is 4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride.
What is the SMILES notation for 4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride?
The canonical SMILES for 4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride is Cc1c(-c2ccc(N)cc2)ccc(N(C)C)c1C.Cl.
What is the InChIKey of 4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride?
The InChIKey is ZYSNFLGNECWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.ClH/c1-11-12(2)16(18(3)4)10-9-15(11)13-5-7-14(17)8-6-13;/h5-10H,17H2,1-4H3;1H.
What are the key properties of 4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride?
4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N,N,2,3-tetramethylaniline;hydrochloride is sourced from PubChem (CID 11579985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).