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

C16H28N2O2 — CID 84750416

IUPAC2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol
SMILESCCNCc1ccc(N(CC)CCO)c(OC(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-5-17-12-14-7-8-15(18(6-2)9-10-19)16(11-14)20-13(3)4/h7-8,11,13,17,19H,5-6,9-10,12H2,1-4H3
InChIKeyDEYGRHUWHWMOLG-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.40
Rot. Bonds9

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

2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol (PubChem CID 84750416) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol
PubChem CID84750416
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol
SMILESCCNCc1ccc(N(CC)CCO)c(OC(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-5-17-12-14-7-8-15(18(6-2)9-10-19)16(11-14)20-13(3)4/h7-8,11,13,17,19H,5-6,9-10,12H2,1-4H3
InChIKeyDEYGRHUWHWMOLG-UHFFFAOYSA-N
XLogP2.40
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
CID 84750453
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
CID 84750420
2-[[4-[ethyl(2-hydroxyethyl)amino]-3-propan-2-yloxyphenyl]methylamino]acetic acid
CID 84750410
2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol
CID 84754460
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211
N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline
CID 84750306
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline
CID 84750591
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
2-[[4-[butyl(methyl)amino]-3-propan-2-yloxyphenyl]methylamino]acetic acid
CID 84750589
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 60980506
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62121360

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol (CID 84750416) is 2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol is CCNCc1ccc(N(CC)CCO)c(OC(C)C)c1.
What is the InChIKey of 2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol?
The InChIKey is DEYGRHUWHWMOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-17-12-14-7-8-15(18(6-2)9-10-19)16(11-14)20-13(3)4/h7-8,11,13,17,19H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol?
2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol has a molecular weight of 280.41 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol is sourced from PubChem (CID 84750416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).