6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine

C17H29NO — CID 65306553

IUPAC6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine
SMILESCCNCCCCCCc1cc(C)ccc1OCC
InChIInChI=1S/C17H29NO/c1-4-18-13-9-7-6-8-10-16-14-15(3)11-12-17(16)19-5-2/h11-12,14,18H,4-10,13H2,1-3H3
InChIKeyCNGWXNOUSWPSOD-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.11
Rot. Bonds10

About 6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine

6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine (PubChem CID 65306553) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine
PubChem CID65306553
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine
SMILESCCNCCCCCCc1cc(C)ccc1OCC
InChIInChI=1S/C17H29NO/c1-4-18-13-9-7-6-8-10-16-14-15(3)11-12-17(16)19-5-2/h11-12,14,18H,4-10,13H2,1-3H3
InChIKeyCNGWXNOUSWPSOD-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.11
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-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306555
6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65306554
N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
CID 65305770
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305802
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine
CID 70956835
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine
CID 63492667
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine?
The IUPAC name of 6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine (CID 65306553) is 6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine.
What is the SMILES notation for 6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine?
The canonical SMILES for 6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine is CCNCCCCCCc1cc(C)ccc1OCC.
What is the InChIKey of 6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine?
The InChIKey is CNGWXNOUSWPSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-18-13-9-7-6-8-10-16-14-15(3)11-12-17(16)19-5-2/h11-12,14,18H,4-10,13H2,1-3H3.
What are the key properties of 6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine?
6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine is sourced from PubChem (CID 65306553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).