2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol

C14H19NO3 — CID 111439695

IUPAC2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol
SMILESC#CCOc1ccc(N(C)CCOCCO)cc1
InChIInChI=1S/C14H19NO3/c1-3-10-18-14-6-4-13(5-7-14)15(2)8-11-17-12-9-16/h1,4-7,16H,8-12H2,2H3
InChIKeyFZDDXRNTYSPNHK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.14
Rot. Bonds8

About 2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol

2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol (PubChem CID 111439695) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol
PubChem CID111439695
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol
SMILESC#CCOc1ccc(N(C)CCOCCO)cc1
InChIInChI=1S/C14H19NO3/c1-3-10-18-14-6-4-13(5-7-14)15(2)8-11-17-12-9-16/h1,4-7,16H,8-12H2,2H3
InChIKeyFZDDXRNTYSPNHK-UHFFFAOYSA-N
XLogP1.14
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101064678
2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
CID 122208894
4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile
CID 101392937
2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
CID 114243255
1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 53342216
2-[2-[(5-ethynylthiophen-2-yl)-methylamino]ethoxy]ethanol
CID 175111573
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
CID 11506589
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 130317798
2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol
CID 166304036
2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
CID 114243002
4-prop-2-ynoxybenzenethiol
CID 155088552

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol?
The IUPAC name of 2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol (CID 111439695) is 2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol is C#CCOc1ccc(N(C)CCOCCO)cc1.
What is the InChIKey of 2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol?
The InChIKey is FZDDXRNTYSPNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-10-18-14-6-4-13(5-7-14)15(2)8-11-17-12-9-16/h1,4-7,16H,8-12H2,2H3.
What are the key properties of 2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol?
2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol has a molecular weight of 249.31 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol is sourced from PubChem (CID 111439695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).