N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine

C21H29NO — CID 3055353

IUPACN,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine
SMILESCN(C)CCCCCOc1ccccc1CCc1ccccc1
InChIInChI=1S/C21H29NO/c1-22(2)17-9-4-10-18-23-21-14-8-7-13-20(21)16-15-19-11-5-3-6-12-19/h3,5-8,11-14H,4,9-10,15-18H2,1-2H3
InChIKeyBDRNWOLJVUGQGL-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.58
Rot. Bonds10

About N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine

N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine (PubChem CID 3055353) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine
PubChem CID3055353
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC NameN,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine
SMILESCN(C)CCCCCOc1ccccc1CCc1ccccc1
InChIInChI=1S/C21H29NO/c1-22(2)17-9-4-10-18-23-21-14-8-7-13-20(21)16-15-19-11-5-3-6-12-19/h3,5-8,11-14H,4,9-10,15-18H2,1-2H3
InChIKeyBDRNWOLJVUGQGL-UHFFFAOYSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine?
The IUPAC name of N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine (CID 3055353) is N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine?
The canonical SMILES for N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine is CN(C)CCCCCOc1ccccc1CCc1ccccc1.
What is the InChIKey of N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine?
The InChIKey is BDRNWOLJVUGQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-22(2)17-9-4-10-18-23-21-14-8-7-13-20(21)16-15-19-11-5-3-6-12-19/h3,5-8,11-14H,4,9-10,15-18H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine?
N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine is sourced from PubChem (CID 3055353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).