3-(2,6-diethyl-N-methylanilino)propan-1-ol

C14H23NO — CID 117029253

IUPAC3-(2,6-diethyl-N-methylanilino)propan-1-ol
SMILESCCc1cccc(CC)c1N(C)CCCO
InChIInChI=1S/C14H23NO/c1-4-12-8-6-9-13(5-2)14(12)15(3)10-7-11-16/h6,8-9,16H,4-5,7,10-11H2,1-3H3
InChIKeyJKPSKNIHASXZKI-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.63
Rot. Bonds6

About 3-(2,6-diethyl-N-methylanilino)propan-1-ol

3-(2,6-diethyl-N-methylanilino)propan-1-ol (PubChem CID 117029253) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(2,6-diethyl-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(2,6-diethyl-N-methylanilino)propan-1-ol
PubChem CID117029253
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(2,6-diethyl-N-methylanilino)propan-1-ol
SMILESCCc1cccc(CC)c1N(C)CCCO
InChIInChI=1S/C14H23NO/c1-4-12-8-6-9-13(5-2)14(12)15(3)10-7-11-16/h6,8-9,16H,4-5,7,10-11H2,1-3H3
InChIKeyJKPSKNIHASXZKI-UHFFFAOYSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-diethyl-N-methylanilino)butan-2-one
CID 117029527
3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol
CID 22706869
N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine
CID 112514390
3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 145104975
4-(2,6-diethylanilino)butan-1-ol
CID 62327687
3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol
CID 107105813
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
CID 114230085
3-(3,4-difluoro-N-methylanilino)propan-1-ol
CID 110903439
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 163258741

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethyl-N-methylanilino)propan-1-ol?
The IUPAC name of 3-(2,6-diethyl-N-methylanilino)propan-1-ol (CID 117029253) is 3-(2,6-diethyl-N-methylanilino)propan-1-ol.
What is the SMILES notation for 3-(2,6-diethyl-N-methylanilino)propan-1-ol?
The canonical SMILES for 3-(2,6-diethyl-N-methylanilino)propan-1-ol is CCc1cccc(CC)c1N(C)CCCO.
What is the InChIKey of 3-(2,6-diethyl-N-methylanilino)propan-1-ol?
The InChIKey is JKPSKNIHASXZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12-8-6-9-13(5-2)14(12)15(3)10-7-11-16/h6,8-9,16H,4-5,7,10-11H2,1-3H3.
What are the key properties of 3-(2,6-diethyl-N-methylanilino)propan-1-ol?
3-(2,6-diethyl-N-methylanilino)propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethyl-N-methylanilino)propan-1-ol is sourced from PubChem (CID 117029253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).