2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol

C17H29NO — CID 82314956

IUPAC2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol
SMILESCCCCNC(CC)C(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29NO/c1-6-8-9-18-15(7-2)17(19)16-13(4)10-12(3)11-14(16)5/h10-11,15,17-19H,6-9H2,1-5H3
InChIKeyUJVJFMRQWZKGBP-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.81
Rot. Bonds7

About 2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol

2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol (PubChem CID 82314956) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol
PubChem CID82314956
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol
SMILESCCCCNC(CC)C(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29NO/c1-6-8-9-18-15(7-2)17(19)16-13(4)10-12(3)11-14(16)5/h10-11,15,17-19H,6-9H2,1-5H3
InChIKeyUJVJFMRQWZKGBP-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314916
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)butan-1-ol
CID 82315089
2-(butylamino)-1-naphthalen-2-ylbutan-1-ol
CID 82313363
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 82313534
2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid
CID 82315884
N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491112
methyl 3-(butylamino)-4-(2,5-dimethylphenyl)-4-hydroxybutanoate
CID 82349613
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
3-(butylamino)-4-(3,4-dimethylphenyl)-4-hydroxybutanoic acid
CID 82347592
4-[[1-(3,4-dimethylphenyl)-1-hydroxybutan-2-yl]amino]butanoic acid
CID 82312568
(1S)-1-(butylamino)propan-1-ol
CID 153016894

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol?
The IUPAC name of 2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol (CID 82314956) is 2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol.
What is the SMILES notation for 2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol?
The canonical SMILES for 2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol is CCCCNC(CC)C(O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol?
The InChIKey is UJVJFMRQWZKGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-8-9-18-15(7-2)17(19)16-13(4)10-12(3)11-14(16)5/h10-11,15,17-19H,6-9H2,1-5H3.
What are the key properties of 2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol?
2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol is sourced from PubChem (CID 82314956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).