N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine

C21H23N3O — CID 22391257

IUPACN-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(C)cc2)cc1-c1cncnc1
InChIInChI=1S/C21H23N3O/c1-15-4-7-18(8-5-15)16(2)24-11-17-6-9-21(25-3)20(10-17)19-12-22-14-23-13-19/h4-10,12-14,16,24H,11H2,1-3H3
InChIKeyWNBREFQPKCSVIJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.31
Rot. Bonds6

About N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine

N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 22391257) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID22391257
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(C)cc2)cc1-c1cncnc1
InChIInChI=1S/C21H23N3O/c1-15-4-7-18(8-5-15)16(2)24-11-17-6-9-21(25-3)20(10-17)19-12-22-14-23-13-19/h4-10,12-14,16,24H,11H2,1-3H3
InChIKeyWNBREFQPKCSVIJ-UHFFFAOYSA-N
XLogP4.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 20803287
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 22391215
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
CID 10452724
(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 24955185
1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine
CID 82540557
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405869
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine
CID 22391534
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine (CID 22391257) is N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine is COc1ccc(CNC(C)c2ccc(C)cc2)cc1-c1cncnc1.
What is the InChIKey of N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is WNBREFQPKCSVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-4-7-18(8-5-15)16(2)24-11-17-6-9-21(25-3)20(10-17)19-12-22-14-23-13-19/h4-10,12-14,16,24H,11H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 333.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 22391257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).