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

C14H31NO2 — CID 43166251

IUPAC1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC(C)C
InChIInChI=1S/C14H31NO2/c1-5-7-8-13(6-2)10-17-11-14(16)9-15-12(3)4/h12-16H,5-11H2,1-4H3
InChIKeyWZXWOOVYNASLSC-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.58
Rot. Bonds11

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

1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43166251) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID43166251
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC(C)C
InChIInChI=1S/C14H31NO2/c1-5-7-8-13(6-2)10-17-11-14(16)9-15-12(3)4/h12-16H,5-11H2,1-4H3
InChIKeyWZXWOOVYNASLSC-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol (CID 43166251) is 1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol is CCCCC(CC)COCC(O)CNC(C)C.
What is the InChIKey of 1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is WZXWOOVYNASLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-7-8-13(6-2)10-17-11-14(16)9-15-12(3)4/h12-16H,5-11H2,1-4H3.
What are the key properties of 1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43166251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).