2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine

C14H17N3O — CID 114110617

IUPAC2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCOCC(NCc1ccncn1)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-18-10-14(12-5-3-2-4-6-12)16-9-13-7-8-15-11-17-13/h2-8,11,14,16H,9-10H2,1H3
InChIKeyALXJPXUJZLOHQN-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.95
Rot. Bonds6

About 2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine

2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine (PubChem CID 114110617) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine
PubChem CID114110617
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCOCC(NCc1ccncn1)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-18-10-14(12-5-3-2-4-6-12)16-9-13-7-8-15-11-17-13/h2-8,11,14,16H,9-10H2,1H3
InChIKeyALXJPXUJZLOHQN-UHFFFAOYSA-N
XLogP1.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62748534
2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62759109
3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
CID 55152743
1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62749243
N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine
CID 113235607
2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
CID 62749098
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 62749247
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
[4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol
CID 103947386
4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
CID 62760223

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine (CID 114110617) is 2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine is COCC(NCc1ccncn1)c1ccccc1.
What is the InChIKey of 2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine?
The InChIKey is ALXJPXUJZLOHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-10-14(12-5-3-2-4-6-12)16-9-13-7-8-15-11-17-13/h2-8,11,14,16H,9-10H2,1H3.
What are the key properties of 2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine?
2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine has a molecular weight of 243.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 114110617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).