3-phenoxy-N-(2-phenoxyethyl)propan-1-amine

C17H21NO2 — CID 10588194

IUPAC3-phenoxy-N-(2-phenoxyethyl)propan-1-amine
SMILESc1ccc(OCCCNCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-3-8-16(9-4-1)19-14-7-12-18-13-15-20-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyIHBJWORPKYVGRO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds9

About 3-phenoxy-N-(2-phenoxyethyl)propan-1-amine

3-phenoxy-N-(2-phenoxyethyl)propan-1-amine (PubChem CID 10588194) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-phenoxy-N-(2-phenoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-phenoxy-N-(2-phenoxyethyl)propan-1-amine
PubChem CID10588194
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-phenoxy-N-(2-phenoxyethyl)propan-1-amine
SMILESc1ccc(OCCCNCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-3-8-16(9-4-1)19-14-7-12-18-13-15-20-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyIHBJWORPKYVGRO-UHFFFAOYSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fenoxycarb
CID 51605
Pramoxine
CID 4886
Viloxazine
CID 5666
Viloxazine Hydrochloride
CID 71424
Pramoxine Hydrochloride
CID 73957
2-(4-Phenoxyphenoxy)ethanamine
CID 11031651
Medifoxamine
CID 36109
H-9/64
CID 3123920
2-Phenoxyethanamine
CID 15651
Methyl(2-phenoxyethyl)amine
CID 37732
(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amine
CID 16714
Butamoxan
CID 20504

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(2-phenoxyethyl)propan-1-amine?
The IUPAC name of 3-phenoxy-N-(2-phenoxyethyl)propan-1-amine (CID 10588194) is 3-phenoxy-N-(2-phenoxyethyl)propan-1-amine.
What is the SMILES notation for 3-phenoxy-N-(2-phenoxyethyl)propan-1-amine?
The canonical SMILES for 3-phenoxy-N-(2-phenoxyethyl)propan-1-amine is c1ccc(OCCCNCCOc2ccccc2)cc1.
What is the InChIKey of 3-phenoxy-N-(2-phenoxyethyl)propan-1-amine?
The InChIKey is IHBJWORPKYVGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-8-16(9-4-1)19-14-7-12-18-13-15-20-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2.
What are the key properties of 3-phenoxy-N-(2-phenoxyethyl)propan-1-amine?
3-phenoxy-N-(2-phenoxyethyl)propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(2-phenoxyethyl)propan-1-amine is sourced from PubChem (CID 10588194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).