1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol

C14H29NO2 — CID 63931930

IUPAC1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol
SMILESCCOCC(O)CNCC1CCC(CC)CC1
InChIInChI=1S/C14H29NO2/c1-3-12-5-7-13(8-6-12)9-15-10-14(16)11-17-4-2/h12-16H,3-11H2,1-2H3
InChIKeyNBFWDMSTUCTEAW-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.19
Rot. Bonds8

About 1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol

1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol (PubChem CID 63931930) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol
PubChem CID63931930
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol
SMILESCCOCC(O)CNCC1CCC(CC)CC1
InChIInChI=1S/C14H29NO2/c1-3-12-5-7-13(8-6-12)9-15-10-14(16)11-17-4-2/h12-16H,3-11H2,1-2H3
InChIKeyNBFWDMSTUCTEAW-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107166431
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54880949
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005279
4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 114147912
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 114097862
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
4-[[(3-butoxy-2-hydroxypropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107263614
3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901066
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol (CID 63931930) is 1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol is CCOCC(O)CNCC1CCC(CC)CC1.
What is the InChIKey of 1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol?
The InChIKey is NBFWDMSTUCTEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-12-5-7-13(8-6-12)9-15-10-14(16)11-17-4-2/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol?
1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol is sourced from PubChem (CID 63931930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).