1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

C17H27NO2 — CID 104705857

IUPAC1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCCc1ccc(C(CC)NCC2(OC)CCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-4-14-6-8-15(9-7-14)16(5-2)18-12-17(19-3)10-11-20-13-17/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyIOBPQLSIZOGKBV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.10
Rot. Bonds7

About 1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (PubChem CID 104705857) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
PubChem CID104705857
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCCc1ccc(C(CC)NCC2(OC)CCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-4-14-6-8-15(9-7-14)16(5-2)18-12-17(19-3)10-11-20-13-17/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyIOBPQLSIZOGKBV-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104759685
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 104705771
2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 104759790
1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705931
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 104705951
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
CID 104705116
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779
N-[1-(4-ethylphenyl)propyl]morpholin-4-amine
CID 83011892
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (CID 104705857) is 1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is CCc1ccc(C(CC)NCC2(OC)CCOC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The InChIKey is IOBPQLSIZOGKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-14-6-8-15(9-7-14)16(5-2)18-12-17(19-3)10-11-20-13-17/h6-9,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104705857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).