1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine

C14H21F2N — CID 82922686

IUPAC1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2N/c1-4-10(5-2)6-14(17-3)11-7-12(15)9-13(16)8-11/h7-10,14,17H,4-6H2,1-3H3
InChIKeyQGYREYLTNNYOBT-UHFFFAOYSA-N
MW241.32 g/mol
LogP4.05
Rot. Bonds6

About 1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine

1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine (PubChem CID 82922686) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
PubChem CID82922686
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2N/c1-4-10(5-2)6-14(17-3)11-7-12(15)9-13(16)8-11/h7-10,14,17H,4-6H2,1-3H3
InChIKeyQGYREYLTNNYOBT-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-3-ethyl-N-methylpentan-1-amine
CID 107503549
3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
CID 82922591
3-ethyl-N-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 105028365
1-(3-bromo-4-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922196
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277
1-(3,5-difluorophenyl)propylhydrazine
CID 53402270
1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79086657
1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine
CID 105141977
1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
CID 82923305
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
1-(3,5-difluorophenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 65135295
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine (CID 82922686) is 1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine is CCC(CC)CC(NC)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine?
The InChIKey is QGYREYLTNNYOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-4-10(5-2)6-14(17-3)11-7-12(15)9-13(16)8-11/h7-10,14,17H,4-6H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine?
1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine is sourced from PubChem (CID 82922686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).