[2-(4-aminophenyl)ethylamino]-phenylmethanol

C15H18N2O — CID 132520187

IUPAC[2-(4-aminophenyl)ethylamino]-phenylmethanol
SMILESNc1ccc(CCNC(O)c2ccccc2)cc1
InChIInChI=1S/C15H18N2O/c16-14-8-6-12(7-9-14)10-11-17-15(18)13-4-2-1-3-5-13/h1-9,15,17-18H,10-11,16H2
InChIKeyALWUOKNDEOETPR-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.09
Rot. Bonds5

About [2-(4-aminophenyl)ethylamino]-phenylmethanol

[2-(4-aminophenyl)ethylamino]-phenylmethanol (PubChem CID 132520187) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-(4-aminophenyl)ethylamino]-phenylmethanol.

Molecular Properties

Compound Name[2-(4-aminophenyl)ethylamino]-phenylmethanol
PubChem CID132520187
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[2-(4-aminophenyl)ethylamino]-phenylmethanol
SMILESNc1ccc(CCNC(O)c2ccccc2)cc1
InChIInChI=1S/C15H18N2O/c16-14-8-6-12(7-9-14)10-11-17-15(18)13-4-2-1-3-5-13/h1-9,15,17-18H,10-11,16H2
InChIKeyALWUOKNDEOETPR-UHFFFAOYSA-N
XLogP2.09
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.09
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
CID 24834584
3-[2-(4-aminophenyl)ethylamino]-2-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-4-phenylbutanoic acid
CID 123846113
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 61036910
(2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol
CID 70143967
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 18521685
4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
CID 175589044
4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
CID 7998765
N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide
CID 172990012
dimethyl 2-[[2-(4-aminophenyl)ethylamino]-methoxymethyl]propanedioate
CID 154660277

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminophenyl)ethylamino]-phenylmethanol?
The IUPAC name of [2-(4-aminophenyl)ethylamino]-phenylmethanol (CID 132520187) is [2-(4-aminophenyl)ethylamino]-phenylmethanol.
What is the SMILES notation for [2-(4-aminophenyl)ethylamino]-phenylmethanol?
The canonical SMILES for [2-(4-aminophenyl)ethylamino]-phenylmethanol is Nc1ccc(CCNC(O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-aminophenyl)ethylamino]-phenylmethanol?
The InChIKey is ALWUOKNDEOETPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-14-8-6-12(7-9-14)10-11-17-15(18)13-4-2-1-3-5-13/h1-9,15,17-18H,10-11,16H2.
What are the key properties of [2-(4-aminophenyl)ethylamino]-phenylmethanol?
[2-(4-aminophenyl)ethylamino]-phenylmethanol has a molecular weight of 242.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminophenyl)ethylamino]-phenylmethanol is sourced from PubChem (CID 132520187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).