1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C18H31NO2 — CID 46007018

IUPAC1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCC(C)N(Cc1ccccc1)CC(O)COC(C)(C)C
InChIInChI=1S/C18H31NO2/c1-6-15(2)19(12-16-10-8-7-9-11-16)13-17(20)14-21-18(3,4)5/h7-11,15,17,20H,6,12-14H2,1-5H3
InChIKeyPJDZEFDKOJSNAL-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.46
Rot. Bonds8

About 1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 46007018) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID46007018
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCC(C)N(Cc1ccccc1)CC(O)COC(C)(C)C
InChIInChI=1S/C18H31NO2/c1-6-15(2)19(12-16-10-8-7-9-11-16)13-17(20)14-21-18(3,4)5/h7-11,15,17,20H,6,12-14H2,1-5H3
InChIKeyPJDZEFDKOJSNAL-UHFFFAOYSA-N
XLogP3.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 46007018) is 1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CCC(C)N(Cc1ccccc1)CC(O)COC(C)(C)C.
What is the InChIKey of 1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is PJDZEFDKOJSNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-15(2)19(12-16-10-8-7-9-11-16)13-17(20)14-21-18(3,4)5/h7-11,15,17,20H,6,12-14H2,1-5H3.
What are the key properties of 1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(butan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 46007018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).