2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine

C16H25F2N — CID 114933584

IUPAC2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)Cc1c(F)cccc1F
InChIInChI=1S/C16H25F2N/c1-4-10-19-12-16(5-2,6-3)11-13-14(17)8-7-9-15(13)18/h7-9,19H,4-6,10-12H2,1-3H3
InChIKeyRMHRMZWEINRDGQ-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.31
Rot. Bonds8

About 2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine

2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine (PubChem CID 114933584) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
PubChem CID114933584
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)Cc1c(F)cccc1F
InChIInChI=1S/C16H25F2N/c1-4-10-19-12-16(5-2,6-3)11-13-14(17)8-7-9-15(13)18/h7-9,19H,4-6,10-12H2,1-3H3
InChIKeyRMHRMZWEINRDGQ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507266
2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 63507037
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 65318529
2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 55106604
N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 83108577
3-[(2,6-difluorophenyl)methyl]pentan-3-amine
CID 114931229
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843
2-[(2-fluorophenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63509772
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine
CID 82870607
1-(2,6-difluorophenyl)-2-methylbutan-2-ol
CID 114930976
(E)-5-(2,6-difluorophenyl)-N-propylpent-3-en-1-amine
CID 114935075

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine (CID 114933584) is 2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine is CCCNCC(CC)(CC)Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine?
The InChIKey is RMHRMZWEINRDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-10-19-12-16(5-2,6-3)11-13-14(17)8-7-9-15(13)18/h7-9,19H,4-6,10-12H2,1-3H3.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine?
2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 114933584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).