N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine

C22H24N2O — CID 20803287

IUPACN-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CNC(C)c2ccccc2)cc1-c1ccc(C)nc1
InChIInChI=1S/C22H24N2O/c1-16-9-11-20(15-23-16)21-13-18(10-12-22(21)25-3)14-24-17(2)19-7-5-4-6-8-19/h4-13,15,17,24H,14H2,1-3H3
InChIKeyHFCKXHKFXUQUTJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.92
Rot. Bonds6

About N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine

N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine (PubChem CID 20803287) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
PubChem CID20803287
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CNC(C)c2ccccc2)cc1-c1ccc(C)nc1
InChIInChI=1S/C22H24N2O/c1-16-9-11-20(15-23-16)21-13-18(10-12-22(21)25-3)14-24-17(2)19-7-5-4-6-8-19/h4-13,15,17,24H,14H2,1-3H3
InChIKeyHFCKXHKFXUQUTJ-UHFFFAOYSA-N
XLogP4.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine with MolForge

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Related Compounds

(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
CID 10452724
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 22391380
N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 22391257
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine
CID 22391534
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
N-[[4-methoxy-3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
CID 22391479
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 22391215
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
(1R)-N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
CID 7582626
(1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
CID 10387924
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine (CID 20803287) is N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine is COc1ccc(CNC(C)c2ccccc2)cc1-c1ccc(C)nc1.
What is the InChIKey of N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
The InChIKey is HFCKXHKFXUQUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-9-11-20(15-23-16)21-13-18(10-12-22(21)25-3)14-24-17(2)19-7-5-4-6-8-19/h4-13,15,17,24H,14H2,1-3H3.
What are the key properties of N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine has a molecular weight of 332.45 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 20803287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).