3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol

C16H27NO — CID 79480920

IUPAC3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
SMILESCCC(C)CN(CC)CCC(O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-4-14(3)13-17(5-2)12-11-16(18)15-9-7-6-8-10-15/h6-10,14,16,18H,4-5,11-13H2,1-3H3
InChIKeyMIINOCNWYWYIAY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.48
Rot. Bonds8

About 3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol

3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol (PubChem CID 79480920) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
PubChem CID79480920
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
SMILESCCC(C)CN(CC)CCC(O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-4-14(3)13-17(5-2)12-11-16(18)15-9-7-6-8-10-15/h6-10,14,16,18H,4-5,11-13H2,1-3H3
InChIKeyMIINOCNWYWYIAY-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
CID 62613917
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
N-ethyl-2-methyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 79481980
3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628587
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol
CID 82074488
5-methyl-1-phenylhexan-1-ol
CID 10997859
3-[bis(2-methylpropyl)amino]-1-(4-butan-2-ylphenyl)propan-1-ol
CID 110830722
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346
3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624194
N-ethyl-2-phenyl-N-propylpropan-1-amine
CID 143014369

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol (CID 79480920) is 3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol is CCC(C)CN(CC)CCC(O)c1ccccc1.
What is the InChIKey of 3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol?
The InChIKey is MIINOCNWYWYIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-14(3)13-17(5-2)12-11-16(18)15-9-7-6-8-10-15/h6-10,14,16,18H,4-5,11-13H2,1-3H3.
What are the key properties of 3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol?
3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 79480920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).