1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine

C24H34N2O2 — CID 58735144

IUPAC1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine
SMILESCc1ccccc1OCC(COc1ccccc1C)NCCC1CCCN1C
InChIInChI=1S/C24H34N2O2/c1-19-9-4-6-12-23(19)27-17-21(18-28-24-13-7-5-10-20(24)2)25-15-14-22-11-8-16-26(22)3/h4-7,9-10,12-13,21-22,25H,8,11,14-18H2,1-3H3
InChIKeyQSVYHOWUYAEKMK-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.20
Rot. Bonds10

About 1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine

1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine (PubChem CID 58735144) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine
PubChem CID58735144
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine
SMILESCc1ccccc1OCC(COc1ccccc1C)NCCC1CCCN1C
InChIInChI=1S/C24H34N2O2/c1-19-9-4-6-12-23(19)27-17-21(18-28-24-13-7-5-10-20(24)2)25-15-14-22-11-8-16-26(22)3/h4-7,9-10,12-13,21-22,25H,8,11,14-18H2,1-3H3
InChIKeyQSVYHOWUYAEKMK-UHFFFAOYSA-N
XLogP4.20
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554
1-(2-benzylpyrrolidin-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 134033749
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 107914282
N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridin-2-amine
CID 141285669
1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 58735148
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pentan-2-amine
CID 75504470
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine (CID 58735144) is 1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine is Cc1ccccc1OCC(COc1ccccc1C)NCCC1CCCN1C.
What is the InChIKey of 1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine?
The InChIKey is QSVYHOWUYAEKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-19-9-4-6-12-23(19)27-17-21(18-28-24-13-7-5-10-20(24)2)25-15-14-22-11-8-16-26(22)3/h4-7,9-10,12-13,21-22,25H,8,11,14-18H2,1-3H3.
What are the key properties of 1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine?
1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine has a molecular weight of 382.55 g/mol, XLogP of 4.20, 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-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 58735144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).