2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol

C14H24N2O2 — CID 81418952

IUPAC2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1ccnc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-4-14(5-2,11-17)10-15-9-12-6-7-16-13(8-12)18-3/h6-8,15,17H,4-5,9-11H2,1-3H3
InChIKeyMYESLLGYHANZIQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.98
Rot. Bonds8

About 2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol

2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol (PubChem CID 81418952) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol
PubChem CID81418952
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1ccnc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-4-14(5-2,11-17)10-15-9-12-6-7-16-13(8-12)18-3/h6-8,15,17H,4-5,9-11H2,1-3H3
InChIKeyMYESLLGYHANZIQ-UHFFFAOYSA-N
XLogP1.98
TPSA54.38 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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol with MolForge

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Related Compounds

2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81418951
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol
CID 81411904
ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
CID 62990254
2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845638
2-ethyl-2-[[[4-(methoxymethyl)phenyl]methylamino]methyl]butan-1-ol
CID 103845594
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
CID 77032863
N,N-diethyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 55141134
2-[(2-methoxy-4-pyridinyl)methylamino]-N-pentan-2-ylacetamide
CID 62989363
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 62991104
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol (CID 81418952) is 2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCc1ccnc(OC)c1.
What is the InChIKey of 2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol?
The InChIKey is MYESLLGYHANZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-14(5-2,11-17)10-15-9-12-6-7-16-13(8-12)18-3/h6-8,15,17H,4-5,9-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 81418952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).