N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine

C19H25NO — CID 11460281

IUPACN,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine
SMILESCN(C)CCCOc1ccccc1CCc1ccccc1
InChIInChI=1S/C19H25NO/c1-20(2)15-8-16-21-19-12-7-6-11-18(19)14-13-17-9-4-3-5-10-17/h3-7,9-12H,8,13-16H2,1-2H3
InChIKeyVVQSAPJCRQMDRD-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.80
Rot. Bonds8

About N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine

N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine (PubChem CID 11460281) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine
PubChem CID11460281
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine
SMILESCN(C)CCCOc1ccccc1CCc1ccccc1
InChIInChI=1S/C19H25NO/c1-20(2)15-8-16-21-19-12-7-6-11-18(19)14-13-17-9-4-3-5-10-17/h3-7,9-12H,8,13-16H2,1-2H3
InChIKeyVVQSAPJCRQMDRD-UHFFFAOYSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.80
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-3-[2-(2-phenylethyl)phenoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine (CID 11460281) is N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine is CN(C)CCCOc1ccccc1CCc1ccccc1.
What is the InChIKey of N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine?
The InChIKey is VVQSAPJCRQMDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-20(2)15-8-16-21-19-12-7-6-11-18(19)14-13-17-9-4-3-5-10-17/h3-7,9-12H,8,13-16H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine?
N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(2-phenylethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 11460281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).