1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine

C24H28N2O2 — CID 58735148

IUPAC1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine
SMILESCc1ccccc1OCC(COc1ccccc1C)NCCc1ccncc1
InChIInChI=1S/C24H28N2O2/c1-19-7-3-5-9-23(19)27-17-22(18-28-24-10-6-4-8-20(24)2)26-16-13-21-11-14-25-15-12-21/h3-12,14-15,22,26H,13,16-18H2,1-2H3
InChIKeyQJGUXIZQTLYUAD-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.36
Rot. Bonds10

About 1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine

1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine (PubChem CID 58735148) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine
PubChem CID58735148
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine
SMILESCc1ccccc1OCC(COc1ccccc1C)NCCc1ccncc1
InChIInChI=1S/C24H28N2O2/c1-19-7-3-5-9-23(19)27-17-22(18-28-24-10-6-4-8-20(24)2)26-16-13-21-11-14-25-15-12-21/h3-12,14-15,22,26H,13,16-18H2,1-2H3
InChIKeyQJGUXIZQTLYUAD-UHFFFAOYSA-N
XLogP4.36
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073
2-(2-methylphenoxy)-1-pyridin-4-ylethanol
CID 117246457
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632
1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 65049563
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 58735144
N-methyl-1-(2-methylphenoxy)pentan-2-amine
CID 62044744
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide
CID 13106303

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine?
The IUPAC name of 1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine (CID 58735148) is 1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine.
What is the SMILES notation for 1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine?
The canonical SMILES for 1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine is Cc1ccccc1OCC(COc1ccccc1C)NCCc1ccncc1.
What is the InChIKey of 1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine?
The InChIKey is QJGUXIZQTLYUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-19-7-3-5-9-23(19)27-17-22(18-28-24-10-6-4-8-20(24)2)26-16-13-21-11-14-25-15-12-21/h3-12,14-15,22,26H,13,16-18H2,1-2H3.
What are the key properties of 1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine?
1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine has a molecular weight of 376.50 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 58735148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).