4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine

C16H27NO3 — CID 107668718

IUPAC4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCCc1ccc(OCCCCNCCOC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-4-14-7-8-15(16(13-14)19-3)20-11-6-5-9-17-10-12-18-2/h7-8,13,17H,4-6,9-12H2,1-3H3
InChIKeyWOAFPFABQOLZSF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.65
Rot. Bonds11

About 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine

4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 107668718) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine
PubChem CID107668718
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCCc1ccc(OCCCCNCCOC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-4-14-7-8-15(16(13-14)19-3)20-11-6-5-9-17-10-12-18-2/h7-8,13,17H,4-6,9-12H2,1-3H3
InChIKeyWOAFPFABQOLZSF-UHFFFAOYSA-N
XLogP2.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 107668456
3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
CID 54849470
9-(4-ethyl-2-methoxyphenoxy)nonane-1-thiol
CID 107669491
6-(4-ethyl-2-methoxyphenoxy)hexane-1-thiol
CID 107669500
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
N-[(3-methoxy-4-nonoxyphenyl)methyl]propan-1-amine
CID 83951182
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline
CID 107668654

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine (CID 107668718) is 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine is CCc1ccc(OCCCCNCCOC)c(OC)c1.
What is the InChIKey of 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is WOAFPFABQOLZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-14-7-8-15(16(13-14)19-3)20-11-6-5-9-17-10-12-18-2/h7-8,13,17H,4-6,9-12H2,1-3H3.
What are the key properties of 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine?
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.65, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 107668718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).