2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol

C15H26N2O — CID 54866332

IUPAC2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
SMILESCCN(CCO)c1ccc(NC(C)C(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(10-11-18)15-8-6-14(7-9-15)16-13(4)12(2)3/h6-9,12-13,16,18H,5,10-11H2,1-4H3
InChIKeyRLKCQGYQFPKRDQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.96
Rot. Bonds7

About 2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol

2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol (PubChem CID 54866332) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
PubChem CID54866332
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
SMILESCCN(CCO)c1ccc(NC(C)C(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(10-11-18)15-8-6-14(7-9-15)16-13(4)12(2)3/h6-9,12-13,16,18H,5,10-11H2,1-4H3
InChIKeyRLKCQGYQFPKRDQ-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol
CID 102869200
2-[4-[ethyl(2-hydroxyethyl)amino]anilino]propanoic acid
CID 66174751
2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
CID 54866191
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol
CID 63945933
(2S)-2-[4-[ethyl(propyl)amino]anilino]propanoic acid
CID 70186094
2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol
CID 79538338
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide
CID 62837414
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
2-[N-(2-hydroxyethyl)-4-(pentan-2-ylamino)anilino]ethanol;isocyanic acid
CID 90888417

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol (CID 54866332) is 2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol is CCN(CCO)c1ccc(NC(C)C(C)C)cc1.
What is the InChIKey of 2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol?
The InChIKey is RLKCQGYQFPKRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(10-11-18)15-8-6-14(7-9-15)16-13(4)12(2)3/h6-9,12-13,16,18H,5,10-11H2,1-4H3.
What are the key properties of 2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol?
2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol is sourced from PubChem (CID 54866332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).