2-pentoxy-1-phenylethanamine

C13H21NO — CID 43275081

IUPAC2-pentoxy-1-phenylethanamine
SMILESCCCCCOCC(N)c1ccccc1
InChIInChI=1S/C13H21NO/c1-2-3-7-10-15-11-13(14)12-8-5-4-6-9-12/h4-6,8-9,13H,2-3,7,10-11,14H2,1H3
InChIKeyDDZLPDMLJBPMDT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.89
Rot. Bonds7

About 2-pentoxy-1-phenylethanamine

2-pentoxy-1-phenylethanamine (PubChem CID 43275081) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-pentoxy-1-phenylethanamine.

Molecular Properties

Compound Name2-pentoxy-1-phenylethanamine
PubChem CID43275081
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-pentoxy-1-phenylethanamine
SMILESCCCCCOCC(N)c1ccccc1
InChIInChI=1S/C13H21NO/c1-2-3-7-10-15-11-13(14)12-8-5-4-6-9-12/h4-6,8-9,13H,2-3,7,10-11,14H2,1H3
InChIKeyDDZLPDMLJBPMDT-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptoxy-1-(3-methylphenyl)ethanamine
CID 61309696
1-octoxypropan-2-ylbenzene
CID 77473849
4-butoxy-1-phenylbutan-1-amine
CID 61483795
2-heptoxy-1-(4-propylphenyl)ethanamine
CID 43127468
1-(3-fluorophenyl)-2-heptoxyethanamine
CID 45282775
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43127517
1-(2-methylphenyl)-2-octoxyethanamine
CID 43127875
3-heptoxy-2-phenylpropane-1-sulfonamide
CID 65015525
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
pentyl 3-amino-3-phenylpropanoate;hydrochloride
CID 3071047
N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-1-phenylethanamine?
The IUPAC name of 2-pentoxy-1-phenylethanamine (CID 43275081) is 2-pentoxy-1-phenylethanamine.
What is the SMILES notation for 2-pentoxy-1-phenylethanamine?
The canonical SMILES for 2-pentoxy-1-phenylethanamine is CCCCCOCC(N)c1ccccc1.
What is the InChIKey of 2-pentoxy-1-phenylethanamine?
The InChIKey is DDZLPDMLJBPMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-7-10-15-11-13(14)12-8-5-4-6-9-12/h4-6,8-9,13H,2-3,7,10-11,14H2,1H3.
What are the key properties of 2-pentoxy-1-phenylethanamine?
2-pentoxy-1-phenylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-1-phenylethanamine is sourced from PubChem (CID 43275081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).