2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol

C14H24N2O2 — CID 114243255

IUPAC2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
SMILESCCNCc1ccc(N(C)CCOCCO)cc1
InChIInChI=1S/C14H24N2O2/c1-3-15-12-13-4-6-14(7-5-13)16(2)8-10-18-11-9-17/h4-7,15,17H,3,8-12H2,1-2H3
InChIKeyQTVMKXSMZLJTLW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.24
Rot. Bonds9

About 2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol

2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol (PubChem CID 114243255) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
PubChem CID114243255
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
SMILESCCNCc1ccc(N(C)CCOCCO)cc1
InChIInChI=1S/C14H24N2O2/c1-3-15-12-13-4-6-14(7-5-13)16(2)8-10-18-11-9-17/h4-7,15,17H,3,8-12H2,1-2H3
InChIKeyQTVMKXSMZLJTLW-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.24
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': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101064678
4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol
CID 111439695
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 81056741
2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
CID 122208894
2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol
CID 113475937
4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile
CID 101392937
[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
CID 114127511
N-(3-methoxypropyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63007852
2-[2-[2-(ethylamino)ethyl-methylamino]ethoxy]ethanol
CID 142883467

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol (CID 114243255) is 2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol is CCNCc1ccc(N(C)CCOCCO)cc1.
What is the InChIKey of 2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol?
The InChIKey is QTVMKXSMZLJTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-15-12-13-4-6-14(7-5-13)16(2)8-10-18-11-9-17/h4-7,15,17H,3,8-12H2,1-2H3.
What are the key properties of 2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol?
2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol is sourced from PubChem (CID 114243255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).