1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol

C16H35NO3 — CID 115609499

IUPAC1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC(C)(C)COC
InChIInChI=1S/C16H35NO3/c1-6-8-9-14(7-2)11-20-12-15(18)10-17-16(3,4)13-19-5/h14-15,17-18H,6-13H2,1-5H3
InChIKeyJBCBNELDCVZDSN-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.59
Rot. Bonds13

About 1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol

1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol (PubChem CID 115609499) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol
PubChem CID115609499
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC(C)(C)COC
InChIInChI=1S/C16H35NO3/c1-6-8-9-14(7-2)11-20-12-15(18)10-17-16(3,4)13-19-5/h14-15,17-18H,6-13H2,1-5H3
InChIKeyJBCBNELDCVZDSN-UHFFFAOYSA-N
XLogP2.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 59040453
CID 88753128
CID 88753128
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 106293040
1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463680
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 60633202
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol (CID 115609499) is 1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol is CCCCC(CC)COCC(O)CNC(C)(C)COC.
What is the InChIKey of 1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol?
The InChIKey is JBCBNELDCVZDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-6-8-9-14(7-2)11-20-12-15(18)10-17-16(3,4)13-19-5/h14-15,17-18H,6-13H2,1-5H3.
What are the key properties of 1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol?
1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol has a molecular weight of 289.46 g/mol, XLogP of 2.59, 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-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 115609499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).