2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol

C20H20N2O — CID 155758987

IUPAC2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol
SMILESNc1ccc(NCC(O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H20N2O/c21-18-10-12-19(13-11-18)22-14-20(23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20,22-23H,14,21H2
InChIKeyMMMJQYDHCRQORR-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol

2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol (PubChem CID 155758987) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol
PubChem CID155758987
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol
SMILESNc1ccc(NCC(O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H20N2O/c21-18-10-12-19(13-11-18)22-14-20(23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20,22-23H,14,21H2
InChIKeyMMMJQYDHCRQORR-UHFFFAOYSA-N
XLogP4.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-Aminophenethyl)amino)-1-phenylethanol, (R)-
CID 52953008
(1S)-1-(2-Fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanol
CID 53350238
3-[4-(Ethyl-phenyl-amino)-phenyl]-1-(2-hydroxy-1-methyl-2-phenyl-ethyl)-1-methyl-urea
CID 11732188
2-(2,5-Dimethylanilino)-1-phenylethanol
CID 4401326
2-[2-[4-[(2-Hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol
CID 22986860
(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
N-[3-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]phenyl]methanesulfonamide
CID 155758988
3-[[2-Hydroxy-2-(4-phenylphenyl)ethyl]amino]phenol
CID 155758991
1-Phenyl-2-(4-phenylpiperazino)-1-ethanol
CID 247570
2-((4-Aminophenethyl)amino)-1-phenylethanol hydrochloride, (R)-
CID 52953007
Mirabegron (m5)
CID 90376256
2,2-Bis[4-(dimethylamino)phenyl]-1-phenylethanol
CID 234827

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol?
The IUPAC name of 2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol (CID 155758987) is 2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for 2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol?
The canonical SMILES for 2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol is Nc1ccc(NCC(O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol?
The InChIKey is MMMJQYDHCRQORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c21-18-10-12-19(13-11-18)22-14-20(23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20,22-23H,14,21H2.
What are the key properties of 2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol?
2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol has a molecular weight of 304.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 155758987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).