2-(2-aminoanilino)-2-(4-methylphenyl)ethanol

C15H18N2O — CID 139535831

IUPAC2-(2-aminoanilino)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(C(CO)Nc2ccccc2N)cc1
InChIInChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)15(10-18)17-14-5-3-2-4-13(14)16/h2-9,15,17-18H,10,16H2,1H3
InChIKeyPGDQXTYIYXPWHN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.72
Rot. Bonds4

About 2-(2-aminoanilino)-2-(4-methylphenyl)ethanol

2-(2-aminoanilino)-2-(4-methylphenyl)ethanol (PubChem CID 139535831) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2-aminoanilino)-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-aminoanilino)-2-(4-methylphenyl)ethanol
PubChem CID139535831
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(2-aminoanilino)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(C(CO)Nc2ccccc2N)cc1
InChIInChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)15(10-18)17-14-5-3-2-4-13(14)16/h2-9,15,17-18H,10,16H2,1H3
InChIKeyPGDQXTYIYXPWHN-UHFFFAOYSA-N
XLogP2.72
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
CID 61048136
(2S)-2-(2-bromoanilino)-2-phenylethanol
CID 135041919
2-(4-chlorophenyl)-2-(2-fluoroanilino)ethanol
CID 61050485
(2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol
CID 174809209
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide
CID 155774528
2-(2-aminoanilino)propanoic acid
CID 67237083
(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol
CID 11448905
3-(2-aminoanilino)-4,4-dimethylpentan-1-ol
CID 106348387
2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
CID 115528113
2-(3-bromophenyl)-2-(2-methylanilino)ethanol
CID 61045334

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoanilino)-2-(4-methylphenyl)ethanol?
The IUPAC name of 2-(2-aminoanilino)-2-(4-methylphenyl)ethanol (CID 139535831) is 2-(2-aminoanilino)-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-aminoanilino)-2-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(2-aminoanilino)-2-(4-methylphenyl)ethanol is Cc1ccc(C(CO)Nc2ccccc2N)cc1.
What is the InChIKey of 2-(2-aminoanilino)-2-(4-methylphenyl)ethanol?
The InChIKey is PGDQXTYIYXPWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)15(10-18)17-14-5-3-2-4-13(14)16/h2-9,15,17-18H,10,16H2,1H3.
What are the key properties of 2-(2-aminoanilino)-2-(4-methylphenyl)ethanol?
2-(2-aminoanilino)-2-(4-methylphenyl)ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoanilino)-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 139535831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).