N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine

C14H23NO2 — CID 172797388

IUPACN,2-dimethoxy-1-phenyl-N-propylpropan-2-amine
SMILESCCCN(OC)C(C)(Cc1ccccc1)OC
InChIInChI=1S/C14H23NO2/c1-5-11-15(17-4)14(2,16-3)12-13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3
InChIKeyQJWYMYYJOGNMQE-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.87
Rot. Bonds7

About N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine

N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine (PubChem CID 172797388) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound NameN,2-dimethoxy-1-phenyl-N-propylpropan-2-amine
PubChem CID172797388
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN,2-dimethoxy-1-phenyl-N-propylpropan-2-amine
SMILESCCCN(OC)C(C)(Cc1ccccc1)OC
InChIInChI=1S/C14H23NO2/c1-5-11-15(17-4)14(2,16-3)12-13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3
InChIKeyQJWYMYYJOGNMQE-UHFFFAOYSA-N
XLogP2.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine?
The IUPAC name of N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine (CID 172797388) is N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine?
The canonical SMILES for N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine is CCCN(OC)C(C)(Cc1ccccc1)OC.
What is the InChIKey of N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine?
The InChIKey is QJWYMYYJOGNMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-11-15(17-4)14(2,16-3)12-13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3.
What are the key properties of N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine?
N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 172797388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).