(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine

C14H17N3 — CID 81375507

IUPAC(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1ncccn1
InChIInChI=1S/C14H17N3/c1-11-6-3-4-7-13(11)12(2)17-10-14-15-8-5-9-16-14/h3-9,12,17H,10H2,1-2H3/t12-/m1/s1
InChIKeyCMOIDDTVVJOKNU-GFCCVEGCSA-N
MW227.31 g/mol
LogP2.64
Rot. Bonds4

About (1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine

(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine (PubChem CID 81375507) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
PubChem CID81375507
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1ncccn1
InChIInChI=1S/C14H17N3/c1-11-6-3-4-7-13(11)12(2)17-10-14-15-8-5-9-16-14/h3-9,12,17H,10H2,1-2H3/t12-/m1/s1
InChIKeyCMOIDDTVVJOKNU-GFCCVEGCSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103882358
(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 81375119
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793
(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81353811
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
4-[[1-(2-methylphenyl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953068
(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375023
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83088818

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine (CID 81375507) is (1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine is Cc1ccccc1[C@@H](C)NCc1ncccn1.
What is the InChIKey of (1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine?
The InChIKey is CMOIDDTVVJOKNU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-6-3-4-7-13(11)12(2)17-10-14-15-8-5-9-16-14/h3-9,12,17H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine?
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 81375507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).