N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine

C16H25NO2 — CID 105022346

IUPACN-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)C1CCOC1C
InChIInChI=1S/C16H25NO2/c1-4-17-16(15-9-10-19-12(15)3)13-7-6-8-14(11-13)18-5-2/h6-8,11-12,15-17H,4-5,9-10H2,1-3H3
InChIKeyMCDLNQFYPUVODV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds6

About N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine

N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 105022346) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
PubChem CID105022346
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)C1CCOC1C
InChIInChI=1S/C16H25NO2/c1-4-17-16(15-9-10-19-12(15)3)13-7-6-8-14(11-13)18-5-2/h6-8,11-12,15-17H,4-5,9-10H2,1-3H3
InChIKeyMCDLNQFYPUVODV-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105018793
N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851069
N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105013645
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 105051662
N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
CID 105022208
N-[(2-methyloxolan-3-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854932
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935050
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 79758597
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105045609
3-[bromo-(4-ethoxyphenyl)methyl]-2-methyloxolane
CID 79763438

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine (CID 105022346) is N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine is CCNC(c1cccc(OCC)c1)C1CCOC1C.
What is the InChIKey of N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is MCDLNQFYPUVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17-16(15-9-10-19-12(15)3)13-7-6-8-14(11-13)18-5-2/h6-8,11-12,15-17H,4-5,9-10H2,1-3H3.
What are the key properties of N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105022346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).