1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine

C18H29NO2 — CID 43591765

IUPAC1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCC1CCCCO1
InChIInChI=1S/C18H29NO2/c1-3-12-19-17(4-2)16-10-5-6-11-18(16)21-14-15-9-7-8-13-20-15/h5-6,10-11,15,17,19H,3-4,7-9,12-14H2,1-2H3
InChIKeyBPQJSHMGJMWHHB-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.09
Rot. Bonds8

About 1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine

1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine (PubChem CID 43591765) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
PubChem CID43591765
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCC1CCCCO1
InChIInChI=1S/C18H29NO2/c1-3-12-19-17(4-2)16-10-5-6-11-18(16)21-14-15-9-7-8-13-20-15/h5-6,10-11,15,17,19H,3-4,7-9,12-14H2,1-2H3
InChIKeyBPQJSHMGJMWHHB-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxolan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43279172
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-ol
CID 43503555
N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine
CID 104659878
1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939887
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine
CID 102740250
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
[1-(2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267281
[2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105198546
2-(2-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049972
1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 60882098

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine (CID 43591765) is 1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1OCC1CCCCO1.
What is the InChIKey of 1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine?
The InChIKey is BPQJSHMGJMWHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-12-19-17(4-2)16-10-5-6-11-18(16)21-14-15-9-7-8-13-20-15/h5-6,10-11,15,17,19H,3-4,7-9,12-14H2,1-2H3.
What are the key properties of 1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine?
1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 43591765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).