6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine

C16H27NO — CID 106800724

IUPAC6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCOc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO/c1-5-15(17-6-2)8-7-9-18-16-11-13(3)10-14(4)12-16/h10-12,15,17H,5-9H2,1-4H3
InChIKeyABZOOZHFCGYQJP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.85
Rot. Bonds8

About 6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine

6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine (PubChem CID 106800724) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine
PubChem CID106800724
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCOc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO/c1-5-15(17-6-2)8-7-9-18-16-11-13(3)10-14(4)12-16/h10-12,15,17H,5-9H2,1-4H3
InChIKeyABZOOZHFCGYQJP-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine
CID 106800899
4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol
CID 64802692
6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine
CID 106800707
4-(3,5-dimethylphenoxy)-3-(ethylamino)butan-1-ol
CID 64897803
1-(3,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62605123
1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581
N-ethyl-6-quinolin-7-yloxyhexan-3-amine
CID 107313514
4-(3,5-dimethylphenoxy)-2-(ethylamino)butanoic acid
CID 55143577
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
1-(3-ethoxypropoxy)-3,5-dimethylbenzene
CID 65202414
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine?
The IUPAC name of 6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine (CID 106800724) is 6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine.
What is the SMILES notation for 6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine?
The canonical SMILES for 6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine is CCNC(CC)CCCOc1cc(C)cc(C)c1.
What is the InChIKey of 6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine?
The InChIKey is ABZOOZHFCGYQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-15(17-6-2)8-7-9-18-16-11-13(3)10-14(4)12-16/h10-12,15,17H,5-9H2,1-4H3.
What are the key properties of 6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine?
6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine is sourced from PubChem (CID 106800724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).