N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine

C17H27NO2 — CID 105032916

IUPACN-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(OC)cc1C)C1CCOC1C
InChIInChI=1S/C17H27NO2/c1-6-18-17(14-7-8-20-13(14)4)15-9-12(3)16(19-5)10-11(15)2/h9-10,13-14,17-18H,6-8H2,1-5H3
InChIKeyFAQUQFIEEXHVPL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.39
Rot. Bonds5

About N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine

N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 105032916) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
PubChem CID105032916
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(OC)cc1C)C1CCOC1C
InChIInChI=1S/C17H27NO2/c1-6-18-17(14-7-8-20-13(14)4)15-9-12(3)16(19-5)10-11(15)2/h9-10,13-14,17-18H,6-8H2,1-5H3
InChIKeyFAQUQFIEEXHVPL-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 105032948
N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105013645
N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177620
[(2-methyloxolan-3-yl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312874
N-[(4-bromo-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79758101
N-[(4-methoxy-3-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79759239
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105032819
N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 79758597
N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105022346
N-[1,4-dioxan-2-yl-(4-methoxy-2,5-dimethylphenyl)methyl]propan-1-amine
CID 105032985
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105045609
N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine
CID 105032924

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine (CID 105032916) is N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine is CCNC(c1cc(C)c(OC)cc1C)C1CCOC1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is FAQUQFIEEXHVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-18-17(14-7-8-20-13(14)4)15-9-12(3)16(19-5)10-11(15)2/h9-10,13-14,17-18H,6-8H2,1-5H3.
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105032916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).