2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine

C16H25F2NO — CID 82929889

IUPAC2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CNCCOC)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H25F2NO/c1-4-7-16(2,12-19-8-9-20-3)11-13-5-6-14(17)15(18)10-13/h5-6,10,19H,4,7-9,11-12H2,1-3H3
InChIKeyPNXFZPBWFTYYFP-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.55
Rot. Bonds9

About 2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine

2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine (PubChem CID 82929889) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
PubChem CID82929889
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CNCCOC)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H25F2NO/c1-4-7-16(2,12-19-8-9-20-3)11-13-5-6-14(17)15(18)10-13/h5-6,10,19H,4,7-9,11-12H2,1-3H3
InChIKeyPNXFZPBWFTYYFP-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.55
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-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62724025
2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62726236
2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 103041084
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62720244
2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
CID 82930843
4-(3,4-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 65308797
1-(3-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66036830
2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62725425
N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine
CID 55196240
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
N-(2-methoxyethyl)-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 63020328
2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 62596406

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine (CID 82929889) is 2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine is CCCC(C)(CNCCOC)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The InChIKey is PNXFZPBWFTYYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-4-7-16(2,12-19-8-9-20-3)11-13-5-6-14(17)15(18)10-13/h5-6,10,19H,4,7-9,11-12H2,1-3H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine is sourced from PubChem (CID 82929889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).