3-[butyl(ethyl)amino]-2-methylphenol

C13H21NO — CID 57208066

IUPAC3-[butyl(ethyl)amino]-2-methylphenol
SMILESCCCCN(CC)c1cccc(O)c1C
InChIInChI=1S/C13H21NO/c1-4-6-10-14(5-2)12-8-7-9-13(15)11(12)3/h7-9,15H,4-6,10H2,1-3H3
InChIKeyBNYXGVORUMKHPT-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.33
Rot. Bonds5

About 3-[butyl(ethyl)amino]-2-methylphenol

3-[butyl(ethyl)amino]-2-methylphenol (PubChem CID 57208066) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]-2-methylphenol.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]-2-methylphenol
PubChem CID57208066
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[butyl(ethyl)amino]-2-methylphenol
SMILESCCCCN(CC)c1cccc(O)c1C
InChIInChI=1S/C13H21NO/c1-4-6-10-14(5-2)12-8-7-9-13(15)11(12)3/h7-9,15H,4-6,10H2,1-3H3
InChIKeyBNYXGVORUMKHPT-UHFFFAOYSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine
CID 28772955
2,3-bis(dipentylamino)phenol
CID 67225665
2-(dioctadecylamino)phenol
CID 67178725
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine
CID 102991274
2-[butyl(ethyl)amino]-6-chlorobenzenecarbothioamide
CID 62500932
2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline
CID 114879435
3-(N-ethylanilino)-2-methylphenol
CID 68824539
N,N-dibutyl-2,6-dimethylaniline
CID 100917562
3-[2-[ethyl(methyl)amino]ethyl]-2-methylphenol;pentane
CID 143265519
3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
CID 141277151
3-(N-ethyl-2,3-dimethylanilino)propanoic acid
CID 82318760
2-(2-aminobutyl)-N-butyl-N-ethylaniline
CID 63785761

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)amino]-2-methylphenol?
The IUPAC name of 3-[butyl(ethyl)amino]-2-methylphenol (CID 57208066) is 3-[butyl(ethyl)amino]-2-methylphenol.
What is the SMILES notation for 3-[butyl(ethyl)amino]-2-methylphenol?
The canonical SMILES for 3-[butyl(ethyl)amino]-2-methylphenol is CCCCN(CC)c1cccc(O)c1C.
What is the InChIKey of 3-[butyl(ethyl)amino]-2-methylphenol?
The InChIKey is BNYXGVORUMKHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-10-14(5-2)12-8-7-9-13(15)11(12)3/h7-9,15H,4-6,10H2,1-3H3.
What are the key properties of 3-[butyl(ethyl)amino]-2-methylphenol?
3-[butyl(ethyl)amino]-2-methylphenol has a molecular weight of 207.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]-2-methylphenol is sourced from PubChem (CID 57208066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).