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

C13H22N2O2 — CID 81418951

IUPAC2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCc1ccnc(OC)c1
InChIInChI=1S/C13H22N2O2/c1-4-13(2,10-16)9-14-8-11-5-6-15-12(7-11)17-3/h5-7,14,16H,4,8-10H2,1-3H3
InChIKeyURCBSWGJHZANMV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.59
Rot. Bonds7

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

2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol (PubChem CID 81418951) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol
PubChem CID81418951
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCc1ccnc(OC)c1
InChIInChI=1S/C13H22N2O2/c1-4-13(2,10-16)9-14-8-11-5-6-15-12(7-11)17-3/h5-7,14,16H,4,8-10H2,1-3H3
InChIKeyURCBSWGJHZANMV-UHFFFAOYSA-N
XLogP1.59
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol
CID 81418952
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol
CID 103828079
ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
CID 62990254
2-[(2-methoxy-4-pyridinyl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 62990435
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
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60957794
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 62991104

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol (CID 81418951) is 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNCc1ccnc(OC)c1.
What is the InChIKey of 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is URCBSWGJHZANMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-13(2,10-16)9-14-8-11-5-6-15-12(7-11)17-3/h5-7,14,16H,4,8-10H2,1-3H3.
What are the key properties of 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol?
2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81418951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).