(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine

C15H19N3 — CID 81375119

IUPAC(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCc1nccc(CN[C@H](C)c2ccccc2C)n1
InChIInChI=1S/C15H19N3/c1-11-6-4-5-7-15(11)12(2)17-10-14-8-9-16-13(3)18-14/h4-9,12,17H,10H2,1-3H3/t12-/m1/s1
InChIKeyIDHFGEQBNNJICR-GFCCVEGCSA-N
MW241.34 g/mol
LogP2.94
Rot. Bonds4

About (1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine

(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine (PubChem CID 81375119) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
PubChem CID81375119
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCc1nccc(CN[C@H](C)c2ccccc2C)n1
InChIInChI=1S/C15H19N3/c1-11-6-4-5-7-15(11)12(2)17-10-14-8-9-16-13(3)18-14/h4-9,12,17H,10H2,1-3H3/t12-/m1/s1
InChIKeyIDHFGEQBNNJICR-GFCCVEGCSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-1-(2-nitrophenyl)ethanamine
CID 61016268
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891
4-methyl-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol
CID 54902017
1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 102612485
(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374235
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375023
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine
CID 61017076
5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol
CID 61015857
(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81375259
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 115591923

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine (CID 81375119) is (1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine is Cc1nccc(CN[C@H](C)c2ccccc2C)n1.
What is the InChIKey of (1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The InChIKey is IDHFGEQBNNJICR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-6-4-5-7-15(11)12(2)17-10-14-8-9-16-13(3)18-14/h4-9,12,17H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.94, 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-[(2-methylpyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 81375119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).