3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane

C17H31NO — CID 143265519

IUPAC3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane
SMILESCCCCC.CCN(C)CCc1cccc(O)c1C
InChIInChI=1S/C12H19NO.C5H12/c1-4-13(3)9-8-11-6-5-7-12(14)10(11)2;1-3-5-4-2/h5-7,14H,4,8-9H2,1-3H3;3-5H2,1-2H3
InChIKeyAVMMJCITKPHDAP-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.39
Rot. Bonds6

About 3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane

3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane (PubChem CID 143265519) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane
PubChem CID143265519
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane
SMILESCCCCC.CCN(C)CCc1cccc(O)c1C
InChIInChI=1S/C12H19NO.C5H12/c1-4-13(3)9-8-11-6-5-7-12(14)10(11)2;1-3-5-4-2/h5-7,14H,4,8-9H2,1-3H3;3-5H2,1-2H3
InChIKeyAVMMJCITKPHDAP-UHFFFAOYSA-N
XLogP4.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[amino(methyl)amino]ethyl]-2-methylphenol
CID 137451033
4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol
CID 71290543
2-(2,3-dichlorophenyl)-N-ethyl-N-methylethanamine
CID 167249773
3-[butyl(ethyl)amino]-2-methylphenol
CID 57208066
2-methyl-3-(4-methylpentyl)phenol
CID 154091292
2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine
CID 170050351
2,3-di(nonadecyl)phenol
CID 151687635
2-butyl-3-methylphenol;2,3-dimethylphenol
CID 67848527
2-pentylbenzene-1,3-diol
CID 15007741
N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine
CID 90685954
3-butyl-2-hexylphenol
CID 66867063
3-ethyl-2-octylphenol
CID 66867297

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane (CID 143265519) is 3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane is CCCCC.CCN(C)CCc1cccc(O)c1C.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane?
The InChIKey is AVMMJCITKPHDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C5H12/c1-4-13(3)9-8-11-6-5-7-12(14)10(11)2;1-3-5-4-2/h5-7,14H,4,8-9H2,1-3H3;3-5H2,1-2H3.
What are the key properties of 3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane?
3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane has a molecular weight of 265.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane is sourced from PubChem (CID 143265519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).