aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride

C23H34FN5O2 — CID 174968035

IUPACaniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride
SMILESCc1ccc(N)cc1N.F.Nc1ccccc1.OCCNc1ccccc1NCCO
InChIInChI=1S/C10H16N2O2.C7H10N2.C6H7N.FH/c13-7-5-11-9-3-1-2-4-10(9)12-6-8-14;1-5-2-3-6(8)4-7(5)9;7-6-4-2-1-3-5-6;/h1-4,11-14H,5-8H2;2-4H,8-9H2,1H3;1-5H,7H2;1H
InChIKeyHFPRKCLNZOWIGL-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.08
Rot. Bonds6

About aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride

aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride (PubChem CID 174968035) has the molecular formula C23H34FN5O2 and a molecular weight of 431.56 g/mol. Its IUPAC name is aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride.

Molecular Properties

Compound Nameaniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride
PubChem CID174968035
Molecular FormulaC23H34FN5O2
Molecular Weight431.56 g/mol
Exact Mass431.27
IUPAC Nameaniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride
SMILESCc1ccc(N)cc1N.F.Nc1ccccc1.OCCNc1ccccc1NCCO
InChIInChI=1S/C10H16N2O2.C7H10N2.C6H7N.FH/c13-7-5-11-9-3-1-2-4-10(9)12-6-8-14;1-5-2-3-6(8)4-7(5)9;7-6-4-2-1-3-5-6;/h1-4,11-14H,5-8H2;2-4H,8-9H2,1H3;1-5H,7H2;1H
InChIKeyHFPRKCLNZOWIGL-UHFFFAOYSA-N
XLogP3.08
TPSA142.58 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 53.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride with MolForge

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Related Compounds

2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
4-methylbenzene-1,3-diamine
CID 159171817
2-(4-amino-2-ethylanilino)ethanol
CID 54391550
2-[4-amino-2-(hydroxymethyl)anilino]ethanol
CID 163969372
2-(2,4-diamino-6-phenylanilino)ethanol
CID 156539300
2-(2-hydroxyethylamino)-6-methylphenol
CID 68893139
6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092
aniline;benzene-1,4-diol;2-methylaniline
CID 134248638
2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide
CID 58586704
5-amino-2-(2-hydroxyethylamino)benzonitrile
CID 15827829
aniline;ethanol
CID 22137766
2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol
CID 68822637

Frequently Asked Questions

What is the IUPAC name of aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride?
The IUPAC name of aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride (CID 174968035) is aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride.
What is the SMILES notation for aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride?
The canonical SMILES for aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride is Cc1ccc(N)cc1N.F.Nc1ccccc1.OCCNc1ccccc1NCCO.
What is the InChIKey of aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride?
The InChIKey is HFPRKCLNZOWIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.C7H10N2.C6H7N.FH/c13-7-5-11-9-3-1-2-4-10(9)12-6-8-14;1-5-2-3-6(8)4-7(5)9;7-6-4-2-1-3-5-6;/h1-4,11-14H,5-8H2;2-4H,8-9H2,1H3;1-5H,7H2;1H.
What are the key properties of aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride?
aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride has a molecular weight of 431.56 g/mol, XLogP of 3.08, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride is sourced from PubChem (CID 174968035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).