N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine

C24H34N2O — CID 141187614

IUPACN-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine
SMILESCN(CCOCCCCCN1Cc2ccccc2C1)CCc1ccccc1
InChIInChI=1S/C24H34N2O/c1-25(16-14-22-10-4-2-5-11-22)17-19-27-18-9-3-8-15-26-20-23-12-6-7-13-24(23)21-26/h2,4-7,10-13H,3,8-9,14-21H2,1H3
InChIKeyLOHYZRWIRBREEQ-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.36
Rot. Bonds12

About N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine

N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine (PubChem CID 141187614) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound NameN-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine
PubChem CID141187614
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine
SMILESCN(CCOCCCCCN1Cc2ccccc2C1)CCc1ccccc1
InChIInChI=1S/C24H34N2O/c1-25(16-14-22-10-4-2-5-11-22)17-19-27-18-9-3-8-15-26-20-23-12-6-7-13-24(23)21-26/h2,4-7,10-13H,3,8-9,14-21H2,1H3
InChIKeyLOHYZRWIRBREEQ-UHFFFAOYSA-N
XLogP4.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine?
The IUPAC name of N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine (CID 141187614) is N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine?
The canonical SMILES for N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine is CN(CCOCCCCCN1Cc2ccccc2C1)CCc1ccccc1.
What is the InChIKey of N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine?
The InChIKey is LOHYZRWIRBREEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-25(16-14-22-10-4-2-5-11-22)17-19-27-18-9-3-8-15-26-20-23-12-6-7-13-24(23)21-26/h2,4-7,10-13H,3,8-9,14-21H2,1H3.
What are the key properties of N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine?
N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine has a molecular weight of 366.55 g/mol, XLogP of 4.36, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 141187614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).