1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol

C15H33NO3 — CID 102698045

IUPAC1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCC(C)OC
InChIInChI=1S/C15H33NO3/c1-5-7-8-14(6-2)11-19-12-15(17)10-16-9-13(3)18-4/h13-17H,5-12H2,1-4H3
InChIKeyNIRCNXSXERXHRZ-UHFFFAOYSA-N
MW275.43 g/mol
LogP2.20
Rot. Bonds13

About 1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol

1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol (PubChem CID 102698045) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
PubChem CID102698045
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCC(C)OC
InChIInChI=1S/C15H33NO3/c1-5-7-8-14(6-2)11-19-12-15(17)10-16-9-13(3)18-4/h13-17H,5-12H2,1-4H3
InChIKeyNIRCNXSXERXHRZ-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
2-ethyl-N-(2-methoxypropyl)hexan-1-amine
CID 102697932
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463680
CID 88753128
CID 88753128
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198
1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 114004592
1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 60633202
3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66004855
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 106293040

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol (CID 102698045) is 1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol is CCCCC(CC)COCC(O)CNCC(C)OC.
What is the InChIKey of 1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol?
The InChIKey is NIRCNXSXERXHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-5-7-8-14(6-2)11-19-12-15(17)10-16-9-13(3)18-4/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol?
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol has a molecular weight of 275.43 g/mol, XLogP of 2.20, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol is sourced from PubChem (CID 102698045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).