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

C19H29NO — CID 105053635

IUPAC1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cccc(C2CCC2)c1
InChIInChI=1S/C19H29NO/c1-2-20-19(12-11-18-10-5-13-21-18)17-9-4-8-16(14-17)15-6-3-7-15/h4,8-9,14-15,18-20H,2-3,5-7,10-13H2,1H3
InChIKeyHIDZVTNWHMHSRI-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.56
Rot. Bonds7

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

1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 105053635) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID105053635
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cccc(C2CCC2)c1
InChIInChI=1S/C19H29NO/c1-2-20-19(12-11-18-10-5-13-21-18)17-9-4-8-16(14-17)15-6-3-7-15/h4,8-9,14-15,18-20H,2-3,5-7,10-13H2,1H3
InChIKeyHIDZVTNWHMHSRI-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
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-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
N-ethyl-3-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 65164240
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine (CID 105053635) is 1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is HIDZVTNWHMHSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-20-19(12-11-18-10-5-13-21-18)17-9-4-8-16(14-17)15-6-3-7-15/h4,8-9,14-15,18-20H,2-3,5-7,10-13H2,1H3.
What are the key properties of 1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 105053635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).