N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine

C17H29NO2 — CID 83151570

IUPACN-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine
SMILESCOCCNCC(C)(CCOc1ccccc1)C(C)C
InChIInChI=1S/C17H29NO2/c1-15(2)17(3,14-18-11-13-19-4)10-12-20-16-8-6-5-7-9-16/h5-9,15,18H,10-14H2,1-4H3
InChIKeyQTUGTLCGBUVEIF-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.35
Rot. Bonds10

About N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine

N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine (PubChem CID 83151570) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine
PubChem CID83151570
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine
SMILESCOCCNCC(C)(CCOc1ccccc1)C(C)C
InChIInChI=1S/C17H29NO2/c1-15(2)17(3,14-18-11-13-19-4)10-12-20-16-8-6-5-7-9-16/h5-9,15,18H,10-14H2,1-4H3
InChIKeyQTUGTLCGBUVEIF-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83150831
2,3-dimethyl-1-(2-phenoxyethylamino)butan-2-ol
CID 114447528
2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine
CID 83151072
N-(2-methoxyethyl)-2,4-dimethyl-2-propan-2-ylpentan-1-amine
CID 83151451
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150266
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
N-(2-methoxyethyl)-2-methyl-2-propan-2-yldecan-1-amine
CID 83150997
3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451
N-ethyl-2-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83159390
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 104794766
2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 55107238
1-(2-methoxyethylamino)-3-methyl-3-phenoxybutan-2-ol
CID 71440371

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine (CID 83151570) is N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine is COCCNCC(C)(CCOc1ccccc1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine?
The InChIKey is QTUGTLCGBUVEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-15(2)17(3,14-18-11-13-19-4)10-12-20-16-8-6-5-7-9-16/h5-9,15,18H,10-14H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine?
N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine is sourced from PubChem (CID 83151570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).