N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine

C17H27NO — CID 105018534

IUPACN-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cccc(CC)c1
InChIInChI=1S/C17H27NO/c1-3-14-7-5-8-15(13-14)17(18-4-2)11-10-16-9-6-12-19-16/h5,7-8,13,16-18H,3-4,6,9-12H2,1-2H3
InChIKeyHIFPXVMDNYBPCU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds7

About N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine

N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 105018534) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID105018534
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cccc(CC)c1
InChIInChI=1S/C17H27NO/c1-3-14-7-5-8-15(13-14)17(18-4-2)11-10-16-9-6-12-19-16/h5,7-8,13,16-18H,3-4,6,9-12H2,1-2H3
InChIKeyHIFPXVMDNYBPCU-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105053635
N-ethyl-3-(oxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 65166820
N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 104993653
N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105050527
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
CID 116545086
N-ethyl-3-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 65164240
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993701

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine (CID 105018534) is N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)c1cccc(CC)c1.
What is the InChIKey of N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is HIFPXVMDNYBPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-7-5-8-15(13-14)17(18-4-2)11-10-16-9-6-12-19-16/h5,7-8,13,16-18H,3-4,6,9-12H2,1-2H3.
What are the key properties of N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine?
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 105018534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).