N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine

C16H25NO3 — CID 63556348

IUPACN-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCOC2)c(OCC)c1
InChIInChI=1S/C16H25NO3/c1-3-8-17-11-13-5-6-15(16(10-13)19-4-2)20-14-7-9-18-12-14/h5-6,10,14,17H,3-4,7-9,11-12H2,1-2H3
InChIKeyPEUZFPMHISWOIP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.75
Rot. Bonds8

About N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine

N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine (PubChem CID 63556348) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine
PubChem CID63556348
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCOC2)c(OCC)c1
InChIInChI=1S/C16H25NO3/c1-3-8-17-11-13-5-6-15(16(10-13)19-4-2)20-14-7-9-18-12-14/h5-6,10,14,17H,3-4,7-9,11-12H2,1-2H3
InChIKeyPEUZFPMHISWOIP-UHFFFAOYSA-N
XLogP2.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
CID 63559336
3-[4-(bromomethyl)-2-ethoxyphenoxy]oxolane
CID 63557577
N-[[4-methoxy-3-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 63934986
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687270
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005119
N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63499759
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine (CID 63556348) is N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OC2CCOC2)c(OCC)c1.
What is the InChIKey of N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine?
The InChIKey is PEUZFPMHISWOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-8-17-11-13-5-6-15(16(10-13)19-4-2)20-14-7-9-18-12-14/h5-6,10,14,17H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine?
N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63556348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).