2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine

C23H41NO3 — CID 146530606

IUPAC2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine
SMILESCC(C)(C)CC(c1ccc(COCCOCCOCCN)cc1)C(C)(C)C
InChIInChI=1S/C23H41NO3/c1-22(2,3)17-21(23(4,5)6)20-9-7-19(8-10-20)18-27-16-15-26-14-13-25-12-11-24/h7-10,21H,11-18,24H2,1-6H3
InChIKeyCACDZWWNMXPYLW-UHFFFAOYSA-N
MW379.59 g/mol
LogP4.76
Rot. Bonds12

About 2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine (PubChem CID 146530606) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is 2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine
PubChem CID146530606
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Name2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine
SMILESCC(C)(C)CC(c1ccc(COCCOCCOCCN)cc1)C(C)(C)C
InChIInChI=1S/C23H41NO3/c1-22(2,3)17-21(23(4,5)6)20-9-7-19(8-10-20)18-27-16-15-26-14-13-25-12-11-24/h7-10,21H,11-18,24H2,1-6H3
InChIKeyCACDZWWNMXPYLW-UHFFFAOYSA-N
XLogP4.76
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625
1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
[(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane
CID 143183672
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine
CID 105349646
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
methyl 4-(2,2,5,5-tetramethylhexan-3-yl)benzoate
CID 71131717
ethane;2-phenylmethoxyethanamine
CID 142016503
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 91223677
N'-(3-aminopropyl)-N'-[3-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]ethylamino]propyl]propane-1,3-diamine
CID 143421559

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine (CID 146530606) is 2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine is CC(C)(C)CC(c1ccc(COCCOCCOCCN)cc1)C(C)(C)C.
What is the InChIKey of 2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is CACDZWWNMXPYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO3/c1-22(2,3)17-21(23(4,5)6)20-9-7-19(8-10-20)18-27-16-15-26-14-13-25-12-11-24/h7-10,21H,11-18,24H2,1-6H3.
What are the key properties of 2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 379.59 g/mol, XLogP of 4.76, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 146530606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).