N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine

C16H25NO — CID 114825892

IUPACN-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)C1COC(C)C1
InChIInChI=1S/C16H25NO/c1-4-17-16(15-9-13(3)18-11-15)10-14-7-5-6-12(2)8-14/h5-8,13,15-17H,4,9-11H2,1-3H3
InChIKeyLGRZFDBXOSVXQI-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.94
Rot. Bonds5

About N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine

N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 114825892) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine
PubChem CID114825892
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)C1COC(C)C1
InChIInChI=1S/C16H25NO/c1-4-17-16(15-9-13(3)18-11-15)10-14-7-5-6-12(2)8-14/h5-8,13,15-17H,4,9-11H2,1-3H3
InChIKeyLGRZFDBXOSVXQI-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114825893
2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105024778
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 106866403
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
N-ethyl-1-(3-ethylcyclopentyl)-2-(3-methylphenyl)ethanamine
CID 65409853
N-ethyl-1-(4-ethylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 64776051
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115830037
N-ethyl-2-(furan-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105029658
[2-(3-chlorophenyl)-1-(5-methyloxolan-3-yl)ethyl]hydrazine
CID 105283511
N-ethyl-1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethanamine
CID 114825860
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105015814

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine (CID 114825892) is N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine is CCNC(Cc1cccc(C)c1)C1COC(C)C1.
What is the InChIKey of N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is LGRZFDBXOSVXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-17-16(15-9-13(3)18-11-15)10-14-7-5-6-12(2)8-14/h5-8,13,15-17H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine?
N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 114825892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).