(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol

C12H20N2O — CID 103935273

IUPAC(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
SMILESCCN(Cc1cccc(C)n1)C[C@H](C)O
InChIInChI=1S/C12H20N2O/c1-4-14(8-11(3)15)9-12-7-5-6-10(2)13-12/h5-7,11,15H,4,8-9H2,1-3H3/t11-/m0/s1
InChIKeyALBDNJFIUWIJQG-NSHDSACASA-N
MW208.31 g/mol
LogP1.59
Rot. Bonds5

About (2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol

(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol (PubChem CID 103935273) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
PubChem CID103935273
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
SMILESCCN(Cc1cccc(C)n1)C[C@H](C)O
InChIInChI=1S/C12H20N2O/c1-4-14(8-11(3)15)9-12-7-5-6-10(2)13-12/h5-7,11,15H,4,8-9H2,1-3H3/t11-/m0/s1
InChIKeyALBDNJFIUWIJQG-NSHDSACASA-N
XLogP1.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol with MolForge

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Related Compounds

1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
1,4-bis[bis[(6-methyl-2-pyridinyl)methyl]amino]butan-2-ol
CID 100917591
1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylbutan-2-ol
CID 114495745
2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369996
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine
CID 138538363
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79260632
N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267272
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621
N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 104513798
N,N-diethylethanamine;2,6-dimethylpyridine
CID 90016440
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol (CID 103935273) is (2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol is CCN(Cc1cccc(C)n1)C[C@H](C)O.
What is the InChIKey of (2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol?
The InChIKey is ALBDNJFIUWIJQG-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-14(8-11(3)15)9-12-7-5-6-10(2)13-12/h5-7,11,15H,4,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol?
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol has a molecular weight of 208.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 103935273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).