N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine

C17H27NO2 — CID 62486972

IUPACN-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCCc1ccccc1OCC1CCC(CNC(C)C)O1
InChIInChI=1S/C17H27NO2/c1-4-14-7-5-6-8-17(14)19-12-16-10-9-15(20-16)11-18-13(2)3/h5-8,13,15-16,18H,4,9-12H2,1-3H3
InChIKeyLNKCQUBNXOAIMV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds7

About N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine

N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62486972) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID62486972
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCCc1ccccc1OCC1CCC(CNC(C)C)O1
InChIInChI=1S/C17H27NO2/c1-4-14-7-5-6-8-17(14)19-12-16-10-9-15(20-16)11-18-13(2)3/h5-8,13,15-16,18H,4,9-12H2,1-3H3
InChIKeyLNKCQUBNXOAIMV-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine
CID 62459432
2-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 62430750
N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 55077251
N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 76943798
N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62458867
N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62598642
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132818
N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62446409
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103132816
N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 55070066
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 65201205
N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 63878672

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine (CID 62486972) is N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine is CCc1ccccc1OCC1CCC(CNC(C)C)O1.
What is the InChIKey of N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is LNKCQUBNXOAIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-14-7-5-6-8-17(14)19-12-16-10-9-15(20-16)11-18-13(2)3/h5-8,13,15-16,18H,4,9-12H2,1-3H3.
What are the key properties of N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62486972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).