2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol

C18H24N4O2 — CID 141052801

IUPAC2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol
SMILESC=C(N(CCO)c1ccc(N)cc1)N(CCO)c1ccc(N)cc1
InChIInChI=1S/C18H24N4O2/c1-14(21(10-12-23)17-6-2-15(19)3-7-17)22(11-13-24)18-8-4-16(20)5-9-18/h2-9,23-24H,1,10-13,19-20H2
InChIKeyNCTMNRKBKFXGKV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.62
Rot. Bonds8

About 2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol

2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol (PubChem CID 141052801) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol
PubChem CID141052801
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol
SMILESC=C(N(CCO)c1ccc(N)cc1)N(CCO)c1ccc(N)cc1
InChIInChI=1S/C18H24N4O2/c1-14(21(10-12-23)17-6-2-15(19)3-7-17)22(11-13-24)18-8-4-16(20)5-9-18/h2-9,23-24H,1,10-13,19-20H2
InChIKeyNCTMNRKBKFXGKV-UHFFFAOYSA-N
XLogP1.62
TPSA98.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-[4-amino-N-[4-[4-amino-N-(2-hydroxyethyl)anilino]butyl]anilino]ethanol;tetrahydrochloride
CID 70637275
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 18371790
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride
CID 70452511
N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide
CID 108509880
2-[3-[4-amino-N-(2-hydroxyethyl)anilino]propylamino]ethanol;trihydrate;trihydrochloride
CID 70549305
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol?
The IUPAC name of 2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol (CID 141052801) is 2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol is C=C(N(CCO)c1ccc(N)cc1)N(CCO)c1ccc(N)cc1.
What is the InChIKey of 2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol?
The InChIKey is NCTMNRKBKFXGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(21(10-12-23)17-6-2-15(19)3-7-17)22(11-13-24)18-8-4-16(20)5-9-18/h2-9,23-24H,1,10-13,19-20H2.
What are the key properties of 2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol?
2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol has a molecular weight of 328.42 g/mol, XLogP of 1.62, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol is sourced from PubChem (CID 141052801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).