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

C16H25NO — CID 105018793

IUPACN-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)C1CCOC1C
InChIInChI=1S/C16H25NO/c1-4-13-7-6-8-14(11-13)16(17-5-2)15-9-10-18-12(15)3/h6-8,11-12,15-17H,4-5,9-10H2,1-3H3
InChIKeyXYINWXVDOHSOGM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds5

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

N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 105018793) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
PubChem CID105018793
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)C1CCOC1C
InChIInChI=1S/C16H25NO/c1-4-13-7-6-8-14(11-13)16(17-5-2)15-9-10-18-12(15)3/h6-8,11-12,15-17H,4-5,9-10H2,1-3H3
InChIKeyXYINWXVDOHSOGM-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105022346
N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851069
N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105013645
N-[(2-methyloxolan-3-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854932
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105045609
2-(3-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759298
1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 115482207
N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 79758597
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79759444
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine (CID 105018793) is N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine is CCNC(c1cccc(CC)c1)C1CCOC1C.
What is the InChIKey of N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is XYINWXVDOHSOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-13-7-6-8-14(11-13)16(17-5-2)15-9-10-18-12(15)3/h6-8,11-12,15-17H,4-5,9-10H2,1-3H3.
What are the key properties of N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105018793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).