N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine

C13H19NO2 — CID 63557924

IUPACN-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC2CCOC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-14-9-11-3-5-12(6-4-11)16-13-7-8-15-10-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeySPBWHVJTCQKREN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds5

About N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine

N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine (PubChem CID 63557924) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
PubChem CID63557924
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC2CCOC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-14-9-11-3-5-12(6-4-11)16-13-7-8-15-10-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeySPBWHVJTCQKREN-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352
N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine
CID 79899819
N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 61311099
N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine
CID 63558303
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
1-[4-(oxolan-3-yloxy)phenyl]propan-1-one
CID 63557977
N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134560
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
CID 82753827
N-methyl-1-[4-(oxetan-3-yloxy)phenyl]methanamine
CID 83484226
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 107695497
(3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane
CID 118457980

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine (CID 63557924) is N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine is CCNCc1ccc(OC2CCOC2)cc1.
What is the InChIKey of N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine?
The InChIKey is SPBWHVJTCQKREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-14-9-11-3-5-12(6-4-11)16-13-7-8-15-10-13/h3-6,13-14H,2,7-10H2,1H3.
What are the key properties of N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine?
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63557924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).