3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine

C22H24N2O — CID 83975870

IUPAC3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine
SMILESCc1cccc(COc2ccc(CC(CN)c3ccccn3)cc2)c1
InChIInChI=1S/C22H24N2O/c1-17-5-4-6-19(13-17)16-25-21-10-8-18(9-11-21)14-20(15-23)22-7-2-3-12-24-22/h2-13,20H,14-16,23H2,1H3
InChIKeySVNRPTFKGSIRHM-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.25
Rot. Bonds7

About 3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine

3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine (PubChem CID 83975870) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine
PubChem CID83975870
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine
SMILESCc1cccc(COc2ccc(CC(CN)c3ccccn3)cc2)c1
InChIInChI=1S/C22H24N2O/c1-17-5-4-6-19(13-17)16-25-21-10-8-18(9-11-21)14-20(15-23)22-7-2-3-12-24-22/h2-13,20H,14-16,23H2,1H3
InChIKeySVNRPTFKGSIRHM-UHFFFAOYSA-N
XLogP4.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 82080996
3-(4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 112509068
2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
CID 112539065
3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975865
3-(4-bromophenyl)-2-pyridin-2-ylpropan-1-amine
CID 82094286
4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
CID 83975818
3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975851
1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
CID 146262404
4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol
CID 83975838
N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
CID 55921071
4-[(3-methylphenyl)methoxy]benzonitrile
CID 2226315
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine (CID 83975870) is 3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine is Cc1cccc(COc2ccc(CC(CN)c3ccccn3)cc2)c1.
What is the InChIKey of 3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine?
The InChIKey is SVNRPTFKGSIRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-17-5-4-6-19(13-17)16-25-21-10-8-18(9-11-21)14-20(15-23)22-7-2-3-12-24-22/h2-13,20H,14-16,23H2,1H3.
What are the key properties of 3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine?
3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine has a molecular weight of 332.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 83975870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).