N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine

C24H28N2O3 — CID 66526323

IUPACN-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCOc1cccc(CNCCCOc2ccccn2)c1OCc1ccc(C)cc1
InChIInChI=1S/C24H28N2O3/c1-19-10-12-20(13-11-19)18-29-24-21(7-5-8-22(24)27-2)17-25-14-6-16-28-23-9-3-4-15-26-23/h3-5,7-13,15,25H,6,14,16-18H2,1-2H3
InChIKeyUTXNRNMAKYFVFM-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.54
Rot. Bonds11

About N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine

N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine (PubChem CID 66526323) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
PubChem CID66526323
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCOc1cccc(CNCCCOc2ccccn2)c1OCc1ccc(C)cc1
InChIInChI=1S/C24H28N2O3/c1-19-10-12-20(13-11-19)18-29-24-21(7-5-8-22(24)27-2)17-25-14-6-16-28-23-9-3-4-15-26-23/h3-5,7-13,15,25H,6,14,16-18H2,1-2H3
InChIKeyUTXNRNMAKYFVFM-UHFFFAOYSA-N
XLogP4.54
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526459
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526346
N'-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 17054664
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66529856
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66534504
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 124869858
N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526705
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526438
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66535800
3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 66526320
3-butoxy-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17207628

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine (CID 66526323) is N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine is COc1cccc(CNCCCOc2ccccn2)c1OCc1ccc(C)cc1.
What is the InChIKey of N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is UTXNRNMAKYFVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-19-10-12-20(13-11-19)18-29-24-21(7-5-8-22(24)27-2)17-25-14-6-16-28-23-9-3-4-15-26-23/h3-5,7-13,15,25H,6,14,16-18H2,1-2H3.
What are the key properties of N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 392.50 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 66526323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).