N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine

C14H24N2O2 — CID 122224076

IUPACN-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine
SMILESCCC(C)OC(c1ccncc1)N(C)CCOC
InChIInChI=1S/C14H24N2O2/c1-5-12(2)18-14(16(3)10-11-17-4)13-6-8-15-9-7-13/h6-9,12,14H,5,10-11H2,1-4H3
InChIKeyDRFHFQIHYYSMQA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.47
Rot. Bonds8

About N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine

N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine (PubChem CID 122224076) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine
PubChem CID122224076
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine
SMILESCCC(C)OC(c1ccncc1)N(C)CCOC
InChIInChI=1S/C14H24N2O2/c1-5-12(2)18-14(16(3)10-11-17-4)13-6-8-15-9-7-13/h6-9,12,14H,5,10-11H2,1-4H3
InChIKeyDRFHFQIHYYSMQA-UHFFFAOYSA-N
XLogP2.47
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine
CID 122224079
(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine
CID 11447743
2-N-(2-methoxyethyl)-2-N-methyl-1-(4-methylphenyl)propane-1,2-diamine
CID 61426974
3-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridine-4-carboxamide
CID 81443763
ethene;N-(2-methoxyethyl)-N-methylpropan-2-amine
CID 142497540
1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine
CID 82960632
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
N'-(2-methoxyethyl)-N'-methyl-N-pyridin-4-ylethane-1,2-diamine
CID 62844188
N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
CID 103882819
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82961141
4-methoxy-1-pyridin-4-ylbutan-1-amine
CID 115601661
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287

Frequently Asked Questions

What is the IUPAC name of N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine (CID 122224076) is N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine is CCC(C)OC(c1ccncc1)N(C)CCOC.
What is the InChIKey of N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine?
The InChIKey is DRFHFQIHYYSMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-12(2)18-14(16(3)10-11-17-4)13-6-8-15-9-7-13/h6-9,12,14H,5,10-11H2,1-4H3.
What are the key properties of N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine?
N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine has a molecular weight of 252.36 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 122224076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).