1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine

C14H17N3O — CID 62699214

IUPAC1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCc2ncccn2)c1
InChIInChI=1S/C14H17N3O/c1-11(15)8-12-4-2-5-13(9-12)18-10-14-16-6-3-7-17-14/h2-7,9,11H,8,10,15H2,1H3
InChIKeyFSJATXOVWGQSQI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.95
Rot. Bonds5

About 1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine

1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine (PubChem CID 62699214) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
PubChem CID62699214
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCc2ncccn2)c1
InChIInChI=1S/C14H17N3O/c1-11(15)8-12-4-2-5-13(9-12)18-10-14-16-6-3-7-17-14/h2-7,9,11H,8,10,15H2,1H3
InChIKeyFSJATXOVWGQSQI-UHFFFAOYSA-N
XLogP1.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
CID 62699406
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591169
(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine
CID 56989773
1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
CID 54929076
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566554
1-[3-(2-propan-2-ylsulfanylethoxy)phenyl]propan-2-amine
CID 114268788
1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
CID 62339211

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine (CID 62699214) is 1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine is CC(N)Cc1cccc(OCc2ncccn2)c1.
What is the InChIKey of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is FSJATXOVWGQSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(15)8-12-4-2-5-13(9-12)18-10-14-16-6-3-7-17-14/h2-7,9,11H,8,10,15H2,1H3.
What are the key properties of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine?
1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 62699214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).