1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine

C19H33NO — CID 63505367

IUPAC1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCCOc1ccc(C)cc1C(CC(C)CC(C)(C)C)NC
InChIInChI=1S/C19H33NO/c1-8-21-18-10-9-14(2)11-16(18)17(20-7)12-15(3)13-19(4,5)6/h9-11,15,17,20H,8,12-13H2,1-7H3
InChIKeyVUQZDIMILHYHEG-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.12
Rot. Bonds7

About 1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine

1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine (PubChem CID 63505367) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
PubChem CID63505367
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCCOc1ccc(C)cc1C(CC(C)CC(C)(C)C)NC
InChIInChI=1S/C19H33NO/c1-8-21-18-10-9-14(2)11-16(18)17(20-7)12-15(3)13-19(4,5)6/h9-11,15,17,20H,8,12-13H2,1-7H3
InChIKeyVUQZDIMILHYHEG-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 55056937
1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 43485634
1-(2-ethoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 62302323
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
1-(2-ethoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 62302998
1-(5-bromo-2-ethoxyphenyl)-3,5,5-trimethylhexan-1-amine
CID 43311377
N-ethyl-1-(2-fluoro-5-methylphenyl)-3,5,5-trimethylhexan-1-amine
CID 115852817
1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 62301989
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 79724133
1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol
CID 82315218

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine (CID 63505367) is 1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine is CCOc1ccc(C)cc1C(CC(C)CC(C)(C)C)NC.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The InChIKey is VUQZDIMILHYHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-8-21-18-10-9-14(2)11-16(18)17(20-7)12-15(3)13-19(4,5)6/h9-11,15,17,20H,8,12-13H2,1-7H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine is sourced from PubChem (CID 63505367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).