6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine

C18H31NO — CID 65308994

IUPAC6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCCOc1ccc(CCCCCCNCC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-4-20-18-12-10-17(11-13-18)9-7-5-6-8-14-19-15-16(2)3/h10-13,16,19H,4-9,14-15H2,1-3H3
InChIKeySJMQUICVEGUGSZ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.43
Rot. Bonds11

About 6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine

6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 65308994) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
PubChem CID65308994
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCCOc1ccc(CCCCCCNCC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-4-20-18-12-10-17(11-13-18)9-7-5-6-8-14-19-15-16(2)3/h10-13,16,19H,4-9,14-15H2,1-3H3
InChIKeySJMQUICVEGUGSZ-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.43
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

4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 115493310
6-(4-ethoxyphenyl)-N-propylhexan-1-amine
CID 65308945
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
1-N-[2-(4-ethoxyphenyl)ethyl]propane-1,2-diamine
CID 115196776
N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202111
4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 66258059
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine
CID 62572869
N-ethyl-5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 65300939

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine (CID 65308994) is 6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine is CCOc1ccc(CCCCCCNCC(C)C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is SJMQUICVEGUGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-20-18-12-10-17(11-13-18)9-7-5-6-8-14-19-15-16(2)3/h10-13,16,19H,4-9,14-15H2,1-3H3.
What are the key properties of 6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine?
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.43, 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-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 65308994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).