4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol

C15H25NO — CID 106840594

IUPAC4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol
SMILESCc1cc(C)c(C(C)NCCCCO)cc1C
InChIInChI=1S/C15H25NO/c1-11-9-13(3)15(10-12(11)2)14(4)16-7-5-6-8-17/h9-10,14,16-17H,5-8H2,1-4H3
InChIKeyRPCQOMSDAQWZNY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.03
Rot. Bonds6

About 4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol

4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol (PubChem CID 106840594) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol
PubChem CID106840594
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol
SMILESCc1cc(C)c(C(C)NCCCCO)cc1C
InChIInChI=1S/C15H25NO/c1-11-9-13(3)15(10-12(11)2)14(4)16-7-5-6-8-17/h9-10,14,16-17H,5-8H2,1-4H3
InChIKeyRPCQOMSDAQWZNY-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.03
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

3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108
4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 106841146
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol
CID 115888360
tert-butyl N-[2-[1-(2,4,5-trimethylphenyl)ethylamino]ethyl]carbamate
CID 107241326
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol (CID 106840594) is 4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol is Cc1cc(C)c(C(C)NCCCCO)cc1C.
What is the InChIKey of 4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol?
The InChIKey is RPCQOMSDAQWZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-9-13(3)15(10-12(11)2)14(4)16-7-5-6-8-17/h9-10,14,16-17H,5-8H2,1-4H3.
What are the key properties of 4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol?
4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 106840594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).