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

C12H20N2O — CID 104760595

IUPAC2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
SMILESCOC(C)(C)CNCCc1ccncc1
InChIInChI=1S/C12H20N2O/c1-12(2,15-3)10-14-9-6-11-4-7-13-8-5-11/h4-5,7-8,14H,6,9-10H2,1-3H3
InChIKeyWIECIKZRMDVOMW-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.64
Rot. Bonds6

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

2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine (PubChem CID 104760595) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
PubChem CID104760595
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
SMILESCOC(C)(C)CNCCc1ccncc1
InChIInChI=1S/C12H20N2O/c1-12(2,15-3)10-14-9-6-11-4-7-13-8-5-11/h4-5,7-8,14H,6,9-10H2,1-3H3
InChIKeyWIECIKZRMDVOMW-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(2-pyridin-4-ylethylamino)butan-2-ol
CID 79359431
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
methyl 4-[(2-pyridin-4-ylethylamino)methyl]benzoate
CID 60649467
N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
CID 61485275
2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 104759454
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60649512
N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
CID 115212846
2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 104760515
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
2-methoxy-2-methyl-N-propylpropan-1-amine
CID 62352630

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine (CID 104760595) is 2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine is COC(C)(C)CNCCc1ccncc1.
What is the InChIKey of 2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The InChIKey is WIECIKZRMDVOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,15-3)10-14-9-6-11-4-7-13-8-5-11/h4-5,7-8,14H,6,9-10H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 104760595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).