6-(4-ethoxyphenyl)-N-propylhexan-1-amine

C17H29NO — CID 65308945

IUPAC6-(4-ethoxyphenyl)-N-propylhexan-1-amine
SMILESCCCNCCCCCCc1ccc(OCC)cc1
InChIInChI=1S/C17H29NO/c1-3-14-18-15-8-6-5-7-9-16-10-12-17(13-11-16)19-4-2/h10-13,18H,3-9,14-15H2,1-2H3
InChIKeyCAOJRGSOENIAND-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.19
Rot. Bonds11

About 6-(4-ethoxyphenyl)-N-propylhexan-1-amine

6-(4-ethoxyphenyl)-N-propylhexan-1-amine (PubChem CID 65308945) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N-propylhexan-1-amine
PubChem CID65308945
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name6-(4-ethoxyphenyl)-N-propylhexan-1-amine
SMILESCCCNCCCCCCc1ccc(OCC)cc1
InChIInChI=1S/C17H29NO/c1-3-14-18-15-8-6-5-7-9-16-10-12-17(13-11-16)19-4-2/h10-13,18H,3-9,14-15H2,1-2H3
InChIKeyCAOJRGSOENIAND-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.19
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-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202111
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
5-phenyl-N-propylpentan-1-amine
CID 62530615
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
3-[2-(4-ethoxyphenyl)ethylamino]propane-1-thiol
CID 115225112
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
6-(4-butylphenoxy)-N-ethylhexan-1-amine
CID 115493364
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N-propylhexan-1-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-N-propylhexan-1-amine (CID 65308945) is 6-(4-ethoxyphenyl)-N-propylhexan-1-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N-propylhexan-1-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-N-propylhexan-1-amine is CCCNCCCCCCc1ccc(OCC)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N-propylhexan-1-amine?
The InChIKey is CAOJRGSOENIAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-14-18-15-8-6-5-7-9-16-10-12-17(13-11-16)19-4-2/h10-13,18H,3-9,14-15H2,1-2H3.
What are the key properties of 6-(4-ethoxyphenyl)-N-propylhexan-1-amine?
6-(4-ethoxyphenyl)-N-propylhexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N-propylhexan-1-amine is sourced from PubChem (CID 65308945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).