2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol

C16H27NO2 — CID 103992731

IUPAC2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol
SMILESCC(C)(C)c1ccc(CNCCCOCCO)cc1
InChIInChI=1S/C16H27NO2/c1-16(2,3)15-7-5-14(6-8-15)13-17-9-4-11-19-12-10-18/h5-8,17-18H,4,9-13H2,1-3H3
InChIKeyYATYZUHCYHPZRB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.47
Rot. Bonds8

About 2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol

2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol (PubChem CID 103992731) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol
PubChem CID103992731
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol
SMILESCC(C)(C)c1ccc(CNCCCOCCO)cc1
InChIInChI=1S/C16H27NO2/c1-16(2,3)15-7-5-14(6-8-15)13-17-9-4-11-19-12-10-18/h5-8,17-18H,4,9-13H2,1-3H3
InChIKeyYATYZUHCYHPZRB-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 61171818
2-[3-[(4-butoxyphenyl)methylamino]propoxy]ethanol
CID 103992724
2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol
CID 103992424
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
N'-[(4-tert-butylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201880
N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 63477065
4-[(4-tert-butylphenyl)methylamino]butanoic acid
CID 16770044
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol
CID 103992458
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol
CID 113222790
2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992620

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol (CID 103992731) is 2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol is CC(C)(C)c1ccc(CNCCCOCCO)cc1.
What is the InChIKey of 2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol?
The InChIKey is YATYZUHCYHPZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2,3)15-7-5-14(6-8-15)13-17-9-4-11-19-12-10-18/h5-8,17-18H,4,9-13H2,1-3H3.
What are the key properties of 2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol?
2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol has a molecular weight of 265.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol is sourced from PubChem (CID 103992731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).