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

C17H29NO2 — CID 107668456

IUPAC4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCc1ccc(OCCCCNCC(C)C)c(OC)c1
InChIInChI=1S/C17H29NO2/c1-5-15-8-9-16(17(12-15)19-4)20-11-7-6-10-18-13-14(2)3/h8-9,12,14,18H,5-7,10-11,13H2,1-4H3
InChIKeyIGEHJIIKWWXZEO-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.66
Rot. Bonds10

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

4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine (PubChem CID 107668456) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
PubChem CID107668456
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCc1ccc(OCCCCNCC(C)C)c(OC)c1
InChIInChI=1S/C17H29NO2/c1-5-15-8-9-16(17(12-15)19-4)20-11-7-6-10-18-13-14(2)3/h8-9,12,14,18H,5-7,10-11,13H2,1-4H3
InChIKeyIGEHJIIKWWXZEO-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyethyl)butan-1-amine
CID 107668718
N-[[4-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106899
6-(4-ethyl-2-methoxyphenoxy)hexane-1-thiol
CID 107669500
9-(4-ethyl-2-methoxyphenoxy)nonane-1-thiol
CID 107669491
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711
4-(2,6-dimethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62449812
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63484932
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65176463
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]octan-1-amine
CID 54807740
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine (CID 107668456) is 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine is CCc1ccc(OCCCCNCC(C)C)c(OC)c1.
What is the InChIKey of 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is IGEHJIIKWWXZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-15-8-9-16(17(12-15)19-4)20-11-7-6-10-18-13-14(2)3/h8-9,12,14,18H,5-7,10-11,13H2,1-4H3.
What are the key properties of 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine?
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 107668456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).