2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol

C14H24N2O2 — CID 63058822

IUPAC2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
SMILESCOCCNCc1ccc(N(C)CCO)c(C)c1
InChIInChI=1S/C14H24N2O2/c1-12-10-13(11-15-6-9-18-3)4-5-14(12)16(2)7-8-17/h4-5,10,15,17H,6-9,11H2,1-3H3
InChIKeyDJMFRQULIXASET-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds8

About 2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol

2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol (PubChem CID 63058822) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
PubChem CID63058822
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
SMILESCOCCNCc1ccc(N(C)CCO)c(C)c1
InChIInChI=1S/C14H24N2O2/c1-12-10-13(11-15-6-9-18-3)4-5-14(12)16(2)7-8-17/h4-5,10,15,17H,6-9,11H2,1-3H3
InChIKeyDJMFRQULIXASET-UHFFFAOYSA-N
XLogP1.16
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 81056925
3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671
2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
CID 63070701
2-[2-[(2-methoxyethylamino)methyl]-N,4-dimethylanilino]ethanol
CID 114055007
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 63069765
2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline
CID 114062703
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63071679
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol?
The IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol (CID 63058822) is 2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol.
What is the SMILES notation for 2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol?
The canonical SMILES for 2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol is COCCNCc1ccc(N(C)CCO)c(C)c1.
What is the InChIKey of 2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol?
The InChIKey is DJMFRQULIXASET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12-10-13(11-15-6-9-18-3)4-5-14(12)16(2)7-8-17/h4-5,10,15,17H,6-9,11H2,1-3H3.
What are the key properties of 2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol?
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol is sourced from PubChem (CID 63058822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).