1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol

C16H35NO3 — CID 64604441

IUPAC1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC(C)CCOC
InChIInChI=1S/C16H35NO3/c1-5-7-8-15(6-2)12-20-13-16(18)11-17-14(3)9-10-19-4/h14-18H,5-13H2,1-4H3
InChIKeyZRVQWABTIWZFFV-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.59
Rot. Bonds14

About 1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol

1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol (PubChem CID 64604441) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
PubChem CID64604441
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC(C)CCOC
InChIInChI=1S/C16H35NO3/c1-5-7-8-15(6-2)12-20-13-16(18)11-17-14(3)9-10-19-4/h14-18H,5-13H2,1-4H3
InChIKeyZRVQWABTIWZFFV-UHFFFAOYSA-N
XLogP2.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
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

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Related Compounds

1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
CID 64603424
1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463680
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
1-(but-3-yn-2-ylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 114416911
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide
CID 54938909
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464333
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
CID 88753128
CID 88753128
1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199472
1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 114004592
1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol
CID 115609499

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol (CID 64604441) is 1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol is CCCCC(CC)COCC(O)CNC(C)CCOC.
What is the InChIKey of 1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol?
The InChIKey is ZRVQWABTIWZFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-5-7-8-15(6-2)12-20-13-16(18)11-17-14(3)9-10-19-4/h14-18H,5-13H2,1-4H3.
What are the key properties of 1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol?
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol has a molecular weight of 289.46 g/mol, XLogP of 2.59, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 64604441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).