N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine

C17H27NO3 — CID 62484361

IUPACN-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCOCC1CCOC1
InChIInChI=1S/C17H27NO3/c1-2-8-18-12-16-5-3-4-6-17(16)21-11-10-20-14-15-7-9-19-13-15/h3-6,15,18H,2,7-14H2,1H3
InChIKeyJGVLRRLGPKTVGY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.62
Rot. Bonds10

About N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine

N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 62484361) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine
PubChem CID62484361
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCOCC1CCOC1
InChIInChI=1S/C17H27NO3/c1-2-8-18-12-16-5-3-4-6-17(16)21-11-10-20-14-15-7-9-19-13-15/h3-6,15,18H,2,7-14H2,1H3
InChIKeyJGVLRRLGPKTVGY-UHFFFAOYSA-N
XLogP2.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.62
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

N-[[3-ethoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61311100
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61312439
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
[2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine
CID 62383531
1-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645303
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine
CID 62444230
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132818
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
CID 82753988
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645104

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine (CID 62484361) is N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCCOCC1CCOC1.
What is the InChIKey of N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is JGVLRRLGPKTVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-8-18-12-16-5-3-4-6-17(16)21-11-10-20-14-15-7-9-19-13-15/h3-6,15,18H,2,7-14H2,1H3.
What are the key properties of N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine?
N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62484361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).