1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine

C13H22N2O — CID 65049563

IUPAC1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
SMILESCOCC(NCCc1ccncc1)C(C)C
InChIInChI=1S/C13H22N2O/c1-11(2)13(10-16-3)15-9-6-12-4-7-14-8-5-12/h4-5,7-8,11,13,15H,6,9-10H2,1-3H3
InChIKeyCTBYNJZGUBFZFD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.88
Rot. Bonds7

About 1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine

1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine (PubChem CID 65049563) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
PubChem CID65049563
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
SMILESCOCC(NCCc1ccncc1)C(C)C
InChIInChI=1S/C13H22N2O/c1-11(2)13(10-16-3)15-9-6-12-4-7-14-8-5-12/h4-5,7-8,11,13,15H,6,9-10H2,1-3H3
InChIKeyCTBYNJZGUBFZFD-UHFFFAOYSA-N
XLogP1.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-(2-methoxyethyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902705
6-methoxy-4-methyl-N-propyl-1-pyridin-4-ylhexan-3-amine
CID 105185077
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
1-methoxy-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81406317
1-methoxy-3-methyl-N-(1-pyridin-4-ylethyl)butan-2-amine
CID 65047820
1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 102869089
3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate
CID 79392378
1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine
CID 114698943
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine (CID 65049563) is 1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine is COCC(NCCc1ccncc1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine?
The InChIKey is CTBYNJZGUBFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)13(10-16-3)15-9-6-12-4-7-14-8-5-12/h4-5,7-8,11,13,15H,6,9-10H2,1-3H3.
What are the key properties of 1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine?
1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine is sourced from PubChem (CID 65049563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).