(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine

C12H20N2O — CID 93316989

IUPAC(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
SMILESCC[C@H](C)CNCc1cccnc1OC
InChIInChI=1S/C12H20N2O/c1-4-10(2)8-13-9-11-6-5-7-14-12(11)15-3/h5-7,10,13H,4,8-9H2,1-3H3/t10-/m0/s1
InChIKeyARSUVCXZMPBKRO-JTQLQIEISA-N
MW208.31 g/mol
LogP2.23
Rot. Bonds6

About (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine

(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine (PubChem CID 93316989) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
PubChem CID93316989
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
SMILESCC[C@H](C)CNCc1cccnc1OC
InChIInChI=1S/C12H20N2O/c1-4-10(2)8-13-9-11-6-5-7-14-12(11)15-3/h5-7,10,13H,4,8-9H2,1-3H3/t10-/m0/s1
InChIKeyARSUVCXZMPBKRO-JTQLQIEISA-N
XLogP2.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876007
1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 63933376
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
2-N-[(2-methoxy-3-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939229
N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64538441
1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine
CID 82714723

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine (CID 93316989) is (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine is CC[C@H](C)CNCc1cccnc1OC.
What is the InChIKey of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine?
The InChIKey is ARSUVCXZMPBKRO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-10(2)8-13-9-11-6-5-7-14-12(11)15-3/h5-7,10,13H,4,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine?
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 93316989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).