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

C16H28N2O — CID 54866191

IUPAC2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
SMILESCCCCC(C)Nc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C16H28N2O/c1-4-6-7-14(3)17-15-8-10-16(11-9-15)18(5-2)12-13-19/h8-11,14,17,19H,4-7,12-13H2,1-3H3
InChIKeyLODPGCSXECQEDT-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.50
Rot. Bonds9

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

2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol (PubChem CID 54866191) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
PubChem CID54866191
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
SMILESCCCCC(C)Nc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C16H28N2O/c1-4-6-7-14(3)17-15-8-10-16(11-9-15)18(5-2)12-13-19/h8-11,14,17,19H,4-7,12-13H2,1-3H3
InChIKeyLODPGCSXECQEDT-UHFFFAOYSA-N
XLogP3.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol
CID 63945933
4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
CID 43680104
2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
CID 54866332
2-[N-(2-hydroxyethyl)-4-(pentan-2-ylamino)anilino]ethanol;isocyanic acid
CID 90888417
2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol
CID 102869200
2-[4-[ethyl(2-hydroxyethyl)amino]anilino]propanoic acid
CID 66174751
2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 60945538
(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 107144336
4-[4-(dimethylamino)anilino]pentan-1-ol
CID 115976111
2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol
CID 79538338
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
(2S)-2-[4-[ethyl(propyl)amino]anilino]propanoic acid
CID 70186094

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol (CID 54866191) is 2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol is CCCCC(C)Nc1ccc(N(CC)CCO)cc1.
What is the InChIKey of 2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol?
The InChIKey is LODPGCSXECQEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-6-7-14(3)17-15-8-10-16(11-9-15)18(5-2)12-13-19/h8-11,14,17,19H,4-7,12-13H2,1-3H3.
What are the key properties of 2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol?
2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol has a molecular weight of 264.41 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol is sourced from PubChem (CID 54866191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).