1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol

C15H26N2O — CID 55055823

IUPAC1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
SMILESCC(C)CC(C)N(C)CC(O)c1ccc(N)cc1
InChIInChI=1S/C15H26N2O/c1-11(2)9-12(3)17(4)10-15(18)13-5-7-14(16)8-6-13/h5-8,11-12,15,18H,9-10,16H2,1-4H3
InChIKeyLAZUDCCBFZNSTK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.67
Rot. Bonds6

About 1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol

1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol (PubChem CID 55055823) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
PubChem CID55055823
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
SMILESCC(C)CC(C)N(C)CC(O)c1ccc(N)cc1
InChIInChI=1S/C15H26N2O/c1-11(2)9-12(3)17(4)10-15(18)13-5-7-14(16)8-6-13/h5-8,11-12,15,18H,9-10,16H2,1-4H3
InChIKeyLAZUDCCBFZNSTK-UHFFFAOYSA-N
XLogP2.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol
CID 62265577
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576
1-(4-aminophenyl)-5-methylhexan-1-ol
CID 106695506
1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
CID 62266967
1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
CID 62265226
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
2-[1-methoxypropan-2-yl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60971114
4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol
CID 169324525
4-[1-hydroxy-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethyl]benzenecarbothioamide
CID 112659888
1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol
CID 62264389
3-[[2-(4-aminophenyl)-2-hydroxyethyl]-methylamino]propanenitrile
CID 62265917
1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 62264706

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol (CID 55055823) is 1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol is CC(C)CC(C)N(C)CC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol?
The InChIKey is LAZUDCCBFZNSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)9-12(3)17(4)10-15(18)13-5-7-14(16)8-6-13/h5-8,11-12,15,18H,9-10,16H2,1-4H3.
What are the key properties of 1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol?
1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol is sourced from PubChem (CID 55055823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).