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

C10H16N2O — CID 106752869

IUPAC2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol
SMILESCc1cc(CNC(C)CO)ccn1
InChIInChI=1S/C10H16N2O/c1-8-5-10(3-4-11-8)6-12-9(2)7-13/h3-5,9,12-13H,6-7H2,1-2H3
InChIKeyDMTQCRIWUHNHEJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.86
Rot. Bonds4

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

2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol (PubChem CID 106752869) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol
PubChem CID106752869
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol
SMILESCc1cc(CNC(C)CO)ccn1
InChIInChI=1S/C10H16N2O/c1-8-5-10(3-4-11-8)6-12-9(2)7-13/h3-5,9,12-13H,6-7H2,1-2H3
InChIKeyDMTQCRIWUHNHEJ-UHFFFAOYSA-N
XLogP0.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 89305217
N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 106752860
N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106752892
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
(2-methyl-4-pyridinyl)methanol;hydrochloride
CID 171364039
4-ethyl-2-methylpyridine;propan-2-ol
CID 145226128
(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 167984285
(2R)-2-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-1-ol
CID 103848216
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine
CID 171623926
(2S)-2-(furan-3-ylmethylamino)propan-1-ol
CID 103773853

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol (CID 106752869) is 2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol is Cc1cc(CNC(C)CO)ccn1.
What is the InChIKey of 2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol?
The InChIKey is DMTQCRIWUHNHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-5-10(3-4-11-8)6-12-9(2)7-13/h3-5,9,12-13H,6-7H2,1-2H3.
What are the key properties of 2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol?
2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol is sourced from PubChem (CID 106752869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).