N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine

C17H27NO2 — CID 105350841

IUPACN-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(COCC2CCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-2-9-18-10-7-15-3-5-16(6-4-15)12-20-14-17-8-11-19-13-17/h3-6,17-18H,2,7-14H2,1H3
InChIKeyDWNAZNABFGCHIZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds9

About N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine

N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine (PubChem CID 105350841) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine
PubChem CID105350841
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(COCC2CCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-2-9-18-10-7-15-3-5-16(6-4-15)12-20-14-17-8-11-19-13-17/h3-6,17-18H,2,7-14H2,1H3
InChIKeyDWNAZNABFGCHIZ-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
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

N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine
CID 62484188
N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 105349885
3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 54977307
N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558843
N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687270
N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine
CID 105348999
N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62484361
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
2-bromo-5-(oxolan-3-ylmethoxymethyl)aniline
CID 115557537
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
6-methyl-2-(oxolan-3-ylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80653914

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine (CID 105350841) is N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine is CCCNCCc1ccc(COCC2CCOC2)cc1.
What is the InChIKey of N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is DWNAZNABFGCHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-9-18-10-7-15-3-5-16(6-4-15)12-20-14-17-8-11-19-13-17/h3-6,17-18H,2,7-14H2,1H3.
What are the key properties of N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine?
N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 105350841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).