3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine

C12H20N2O — CID 104865186

IUPAC3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
SMILESCOC(C)C(C)N[C@H](C)c1ccccn1
InChIInChI=1S/C12H20N2O/c1-9(11(3)15-4)14-10(2)12-7-5-6-8-13-12/h5-11,14H,1-4H3/t9?,10-,11?/m1/s1
InChIKeyUOVFPHYFLSDGQN-HSOILSAZSA-N
MW208.31 g/mol
LogP2.16
Rot. Bonds5

About 3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine

3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine (PubChem CID 104865186) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
PubChem CID104865186
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
SMILESCOC(C)C(C)N[C@H](C)c1ccccn1
InChIInChI=1S/C12H20N2O/c1-9(11(3)15-4)14-10(2)12-7-5-6-8-13-12/h5-11,14H,1-4H3/t9?,10-,11?/m1/s1
InChIKeyUOVFPHYFLSDGQN-HSOILSAZSA-N
XLogP2.16
TPSA34.15 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81402254
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
(2S)-2-methoxy-1-pyridin-2-ylpropan-1-ol
CID 131085993
4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81399712
CID 89243617
CID 89243617
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
N-[(1R)-1-pyridin-2-ylethyl]hydroxylamine
CID 51441798
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
(1S)-N-(dicyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 28660896

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine?
The IUPAC name of 3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine (CID 104865186) is 3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine is COC(C)C(C)N[C@H](C)c1ccccn1.
What is the InChIKey of 3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine?
The InChIKey is UOVFPHYFLSDGQN-HSOILSAZSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(11(3)15-4)14-10(2)12-7-5-6-8-13-12/h5-11,14H,1-4H3/t9?,10-,11?/m1/s1.
What are the key properties of 3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine?
3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine is sourced from PubChem (CID 104865186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).