4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol

C16H27NO — CID 115217930

IUPAC4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol
SMILESCc1ccc(CCN(C)CCCCO)c(C)c1C
InChIInChI=1S/C16H27NO/c1-13-7-8-16(15(3)14(13)2)9-11-17(4)10-5-6-12-18/h7-8,18H,5-6,9-12H2,1-4H3
InChIKeyIEOHKGNOEBTVKJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.86
Rot. Bonds7

About 4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol

4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol (PubChem CID 115217930) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol
PubChem CID115217930
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol
SMILESCc1ccc(CCN(C)CCCCO)c(C)c1C
InChIInChI=1S/C16H27NO/c1-13-7-8-16(15(3)14(13)2)9-11-17(4)10-5-6-12-18/h7-8,18H,5-6,9-12H2,1-4H3
InChIKeyIEOHKGNOEBTVKJ-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-[2-(2,3,4-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195540
1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea
CID 115168718
N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115176081
[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol
CID 115229232
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide
CID 115163128
4-[(5-tert-butyl-2-methylphenyl)methyl-methylamino]butan-1-ol
CID 115217659
N-methyl-2-(methylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
CID 115152139
3-[methyl-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]propan-1-ol
CID 115217179
[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
CID 115229495
4-[methyl-[2-(4-methylsulfanylphenyl)ethyl]amino]butan-1-ol
CID 115217902

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol?
The IUPAC name of 4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol (CID 115217930) is 4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol?
The canonical SMILES for 4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol is Cc1ccc(CCN(C)CCCCO)c(C)c1C.
What is the InChIKey of 4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol?
The InChIKey is IEOHKGNOEBTVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13-7-8-16(15(3)14(13)2)9-11-17(4)10-5-6-12-18/h7-8,18H,5-6,9-12H2,1-4H3.
What are the key properties of 4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol?
4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 115217930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).