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

C18H29NO2 — CID 104993653

IUPACN-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-4-19-18(11-10-16-9-6-12-20-16)15-7-5-8-17(13-15)21-14(2)3/h5,7-8,13-14,16,18-19H,4,6,9-12H2,1-3H3
InChIKeyOJVRQNCRNYOLCI-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.08
Rot. Bonds8

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

N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 104993653) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
PubChem CID104993653
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-4-19-18(11-10-16-9-6-12-20-16)15-7-5-8-17(13-15)21-14(2)3/h5,7-8,13-14,16,18-19H,4,6,9-12H2,1-3H3
InChIKeyOJVRQNCRNYOLCI-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105053635
[2-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105198673
N-ethyl-3-(oxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 65166820
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
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
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 107985085
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-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine (CID 104993653) is N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine is CCNC(CCC1CCCO1)c1cccc(OC(C)C)c1.
What is the InChIKey of N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is OJVRQNCRNYOLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-19-18(11-10-16-9-6-12-20-16)15-7-5-8-17(13-15)21-14(2)3/h5,7-8,13-14,16,18-19H,4,6,9-12H2,1-3H3.
What are the key properties of N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 104993653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).