2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine

C17H27NO3 — CID 65158746

IUPAC2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1cccc(OCCCC2CCCO2)c1
InChIInChI=1S/C17H27NO3/c1-19-12-9-18-14-15-5-2-6-17(13-15)21-11-4-8-16-7-3-10-20-16/h2,5-6,13,16,18H,3-4,7-12,14H2,1H3
InChIKeyINODELGWJFIMPZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.76
Rot. Bonds10

About 2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine

2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine (PubChem CID 65158746) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
PubChem CID65158746
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1cccc(OCCCC2CCCO2)c1
InChIInChI=1S/C17H27NO3/c1-19-12-9-18-14-15-5-2-6-17(13-15)21-11-4-8-16-7-3-10-20-16/h2,5-6,13,16,18H,3-4,7-12,14H2,1H3
InChIKeyINODELGWJFIMPZ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163939
2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
CID 65158699
N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
CID 65158588
2-methoxy-N-[[3-[2-(oxolan-2-yl)ethylsulfanyl]phenyl]methyl]ethanamine
CID 66348148
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63055892
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane
CID 65163188
3-(oxolan-2-ylmethoxy)-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 75858662
N-[(3,4-dimethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163453
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158401

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine (CID 65158746) is 2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine is COCCNCc1cccc(OCCCC2CCCO2)c1.
What is the InChIKey of 2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine?
The InChIKey is INODELGWJFIMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-19-12-9-18-14-15-5-2-6-17(13-15)21-11-4-8-16-7-3-10-20-16/h2,5-6,13,16,18H,3-4,7-12,14H2,1H3.
What are the key properties of 2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine?
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 65158746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).