2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine

C16H26FNO — CID 62724025

IUPAC2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CNCCOC)Cc1ccc(F)cc1
InChIInChI=1S/C16H26FNO/c1-4-9-16(2,13-18-10-11-19-3)12-14-5-7-15(17)8-6-14/h5-8,18H,4,9-13H2,1-3H3
InChIKeyFTXVIAIUUYICJS-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.41
Rot. Bonds9

About 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine

2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine (PubChem CID 62724025) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
PubChem CID62724025
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CNCCOC)Cc1ccc(F)cc1
InChIInChI=1S/C16H26FNO/c1-4-9-16(2,13-18-10-11-19-3)12-14-5-7-15(17)8-6-14/h5-8,18H,4,9-13H2,1-3H3
InChIKeyFTXVIAIUUYICJS-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.41
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

2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 82929889
2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62726236
1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037529
2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 62596406
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62720244
2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 103041084
N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine
CID 55196240
1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene
CID 66049999
4-ethyl-N-(2-methoxyethyl)-2-methyl-2-propylhexan-1-amine
CID 82929981
N-(2-methoxyethyl)-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 63020328
2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62725425
N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 114531438

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine (CID 62724025) is 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine is CCCC(C)(CNCCOC)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The InChIKey is FTXVIAIUUYICJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-4-9-16(2,13-18-10-11-19-3)12-14-5-7-15(17)8-6-14/h5-8,18H,4,9-13H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine is sourced from PubChem (CID 62724025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).