1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol

C18H37NO2 — CID 103600453

IUPAC1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCCCCC(CC)CNCC(O)COC1CCC(C)CC1
InChIInChI=1S/C18H37NO2/c1-4-6-7-16(5-2)12-19-13-17(20)14-21-18-10-8-15(3)9-11-18/h15-20H,4-14H2,1-3H3
InChIKeyXKPOLJHHSGEYHY-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.75
Rot. Bonds11

About 1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol

1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 103600453) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID103600453
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCCCCC(CC)CNCC(O)COC1CCC(C)CC1
InChIInChI=1S/C18H37NO2/c1-4-6-7-16(5-2)12-19-13-17(20)14-21-18-10-8-15(3)9-11-18/h15-20H,4-14H2,1-3H3
InChIKeyXKPOLJHHSGEYHY-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hexan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62200592
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
CID 103600432
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469442
1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 63837233
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 114004592
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 103600453) is 1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol is CCCCC(CC)CNCC(O)COC1CCC(C)CC1.
What is the InChIKey of 1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is XKPOLJHHSGEYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-6-7-16(5-2)12-19-13-17(20)14-21-18-10-8-15(3)9-11-18/h15-20H,4-14H2,1-3H3.
What are the key properties of 1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 299.50 g/mol, XLogP of 3.75, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 103600453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).