2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol

C17H30N2O3 — CID 84750420

IUPAC2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
SMILESCCN(CCO)c1ccc(CNCCOC)cc1OC(C)C
InChIInChI=1S/C17H30N2O3/c1-5-19(9-10-20)16-7-6-15(13-18-8-11-21-4)12-17(16)22-14(2)3/h6-7,12,14,18,20H,5,8-11,13H2,1-4H3
InChIKeyVHFCULODOOUZPJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.03
Rot. Bonds11

About 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol

2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol (PubChem CID 84750420) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
PubChem CID84750420
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
SMILESCCN(CCO)c1ccc(CNCCOC)cc1OC(C)C
InChIInChI=1S/C17H30N2O3/c1-5-19(9-10-20)16-7-6-15(13-18-8-11-21-4)12-17(16)22-14(2)3/h6-7,12,14,18,20H,5,8-11,13H2,1-4H3
InChIKeyVHFCULODOOUZPJ-UHFFFAOYSA-N
XLogP2.03
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]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-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol
CID 84750416
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
2-[[4-[ethyl(2-hydroxyethyl)amino]-3-propan-2-yloxyphenyl]methylamino]acetic acid
CID 84750410
N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
CID 84750453
2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol
CID 84754460
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
CID 63070701
2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63059172
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
CID 63058822
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63071679
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol (CID 84750420) is 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol is CCN(CCO)c1ccc(CNCCOC)cc1OC(C)C.
What is the InChIKey of 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol?
The InChIKey is VHFCULODOOUZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-5-19(9-10-20)16-7-6-15(13-18-8-11-21-4)12-17(16)22-14(2)3/h6-7,12,14,18,20H,5,8-11,13H2,1-4H3.
What are the key properties of 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol?
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol has a molecular weight of 310.44 g/mol, XLogP of 2.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol is sourced from PubChem (CID 84750420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).