5-(4-aminoanilino)-2-(2-aminoethyl)phenol

C14H17N3O — CID 170888335

IUPAC5-(4-aminoanilino)-2-(2-aminoethyl)phenol
SMILESNCCc1ccc(Nc2ccc(N)cc2)cc1O
InChIInChI=1S/C14H17N3O/c15-8-7-10-1-4-13(9-14(10)18)17-12-5-2-11(16)3-6-12/h1-6,9,17-18H,7-8,15-16H2
InChIKeyWLTMFLVICOVYLX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds4

About 5-(4-aminoanilino)-2-(2-aminoethyl)phenol

5-(4-aminoanilino)-2-(2-aminoethyl)phenol (PubChem CID 170888335) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(4-aminoanilino)-2-(2-aminoethyl)phenol.

Molecular Properties

Compound Name5-(4-aminoanilino)-2-(2-aminoethyl)phenol
PubChem CID170888335
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(4-aminoanilino)-2-(2-aminoethyl)phenol
SMILESNCCc1ccc(Nc2ccc(N)cc2)cc1O
InChIInChI=1S/C14H17N3O/c15-8-7-10-1-4-13(9-14(10)18)17-12-5-2-11(16)3-6-12/h1-6,9,17-18H,7-8,15-16H2
InChIKeyWLTMFLVICOVYLX-UHFFFAOYSA-N
XLogP2.22
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

4-(2-aminoethyl)benzene-1,3-diol;hydrochloride
CID 50988720
4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine
CID 154140072
2-(2-aminoethyl)-5-methylphenol
CID 55254754
2-(aminomethyl)-4-(4-hydroxyanilino)phenol
CID 21322803
4-(2-aminoethyl)-3-hydroxybenzoic acid;hydrobromide
CID 119031649
5-(2-aminoethyl)benzene-1,2,4-triol chloride
CID 23615875
2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide
CID 86775405
5-(2-aminoethyl)benzene-1,2,3,4-tetrol
CID 71395914
5-(5-amino-2-hydroxyanilino)-2-methylphenol
CID 67898341
5-amino-2-nonylphenol
CID 152595596
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminoanilino)-2-(2-aminoethyl)phenol?
The IUPAC name of 5-(4-aminoanilino)-2-(2-aminoethyl)phenol (CID 170888335) is 5-(4-aminoanilino)-2-(2-aminoethyl)phenol.
What is the SMILES notation for 5-(4-aminoanilino)-2-(2-aminoethyl)phenol?
The canonical SMILES for 5-(4-aminoanilino)-2-(2-aminoethyl)phenol is NCCc1ccc(Nc2ccc(N)cc2)cc1O.
What is the InChIKey of 5-(4-aminoanilino)-2-(2-aminoethyl)phenol?
The InChIKey is WLTMFLVICOVYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-8-7-10-1-4-13(9-14(10)18)17-12-5-2-11(16)3-6-12/h1-6,9,17-18H,7-8,15-16H2.
What are the key properties of 5-(4-aminoanilino)-2-(2-aminoethyl)phenol?
5-(4-aminoanilino)-2-(2-aminoethyl)phenol has a molecular weight of 243.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminoanilino)-2-(2-aminoethyl)phenol is sourced from PubChem (CID 170888335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).