N-(methoxymethoxy)-1-phenylpentan-1-amine

C13H21NO2 — CID 15025162

IUPACN-(methoxymethoxy)-1-phenylpentan-1-amine
SMILESCCCCC(NOCOC)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-3-4-10-13(14-16-11-15-2)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3
InChIKeyPCZSOCWNTHABBO-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.04
Rot. Bonds8

About N-(methoxymethoxy)-1-phenylpentan-1-amine

N-(methoxymethoxy)-1-phenylpentan-1-amine (PubChem CID 15025162) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(methoxymethoxy)-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-(methoxymethoxy)-1-phenylpentan-1-amine
PubChem CID15025162
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(methoxymethoxy)-1-phenylpentan-1-amine
SMILESCCCCC(NOCOC)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-3-4-10-13(14-16-11-15-2)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3
InChIKeyPCZSOCWNTHABBO-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(methoxymethoxy)-1-phenylpentan-1-amine?
The IUPAC name of N-(methoxymethoxy)-1-phenylpentan-1-amine (CID 15025162) is N-(methoxymethoxy)-1-phenylpentan-1-amine.
What is the SMILES notation for N-(methoxymethoxy)-1-phenylpentan-1-amine?
The canonical SMILES for N-(methoxymethoxy)-1-phenylpentan-1-amine is CCCCC(NOCOC)c1ccccc1.
What is the InChIKey of N-(methoxymethoxy)-1-phenylpentan-1-amine?
The InChIKey is PCZSOCWNTHABBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-4-10-13(14-16-11-15-2)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3.
What are the key properties of N-(methoxymethoxy)-1-phenylpentan-1-amine?
N-(methoxymethoxy)-1-phenylpentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethoxy)-1-phenylpentan-1-amine is sourced from PubChem (CID 15025162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).