2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol

C13H22N2O2 — CID 114274418

IUPAC2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol
SMILESCC(C)N(CCOCCO)Cc1ccncc1
InChIInChI=1S/C13H22N2O2/c1-12(2)15(7-9-17-10-8-16)11-13-3-5-14-6-4-13/h3-6,12,16H,7-11H2,1-2H3
InChIKeyKVAUBAPPEKEKGD-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds8

About 2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol

2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol (PubChem CID 114274418) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol
PubChem CID114274418
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol
SMILESCC(C)N(CCOCCO)Cc1ccncc1
InChIInChI=1S/C13H22N2O2/c1-12(2)15(7-9-17-10-8-16)11-13-3-5-14-6-4-13/h3-6,12,16H,7-11H2,1-2H3
InChIKeyKVAUBAPPEKEKGD-UHFFFAOYSA-N
XLogP1.30
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol
CID 61071266
3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331
4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid
CID 60833614
N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
CID 79479672
N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine
CID 114276433
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
N-(2-methoxyethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103438491
3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 82325556
2-[2-phenylmethoxyethyl(propan-2-yl)amino]ethanol
CID 130537128
2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol
CID 62465051
1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine
CID 82960632
N-methyl-N-[2-(pyridin-4-ylmethoxy)ethyl]but-3-yn-2-amine
CID 175220435

Frequently Asked Questions

What is the IUPAC name of 2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol (CID 114274418) is 2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol is CC(C)N(CCOCCO)Cc1ccncc1.
What is the InChIKey of 2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol?
The InChIKey is KVAUBAPPEKEKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(2)15(7-9-17-10-8-16)11-13-3-5-14-6-4-13/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of 2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol?
2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol is sourced from PubChem (CID 114274418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).