2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine

C17H29NO2 — CID 62485354

IUPAC2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(Oc1ccc(CCOC)cc1)C(C)C
InChIInChI=1S/C17H29NO2/c1-5-11-18-13-17(14(2)3)20-16-8-6-15(7-9-16)10-12-19-4/h6-9,14,17-18H,5,10-13H2,1-4H3
InChIKeyQTKNTZYTEQKMEB-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.28
Rot. Bonds10

About 2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine

2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine (PubChem CID 62485354) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine
PubChem CID62485354
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(Oc1ccc(CCOC)cc1)C(C)C
InChIInChI=1S/C17H29NO2/c1-5-11-18-13-17(14(2)3)20-16-8-6-15(7-9-16)10-12-19-4/h6-9,14,17-18H,5,10-13H2,1-4H3
InChIKeyQTKNTZYTEQKMEB-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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

3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63498370
3-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62454475
N-(2-methoxyethyl)-2-(4-propylphenoxy)propan-1-amine
CID 62584394
2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 115493375
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62454884
N-tert-butyl-3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 63497736
2-(3-ethoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62442572
2-(3-tert-butylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 63498609
3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 62548251
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 64664347
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine (CID 62485354) is 2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine is CCCNCC(Oc1ccc(CCOC)cc1)C(C)C.
What is the InChIKey of 2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine?
The InChIKey is QTKNTZYTEQKMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-11-18-13-17(14(2)3)20-16-8-6-15(7-9-16)10-12-19-4/h6-9,14,17-18H,5,10-13H2,1-4H3.
What are the key properties of 2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine?
2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 62485354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).