1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine

C15H23F2N — CID 115810544

IUPAC1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(F)ccc1F)C(C)C(C)C
InChIInChI=1S/C15H23F2N/c1-5-18-15(11(4)10(2)3)9-12-8-13(16)6-7-14(12)17/h6-8,10-11,15,18H,5,9H2,1-4H3
InChIKeyJDSZMOOGJMXKEH-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.78
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine

1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine (PubChem CID 115810544) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
PubChem CID115810544
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(F)ccc1F)C(C)C(C)C
InChIInChI=1S/C15H23F2N/c1-5-18-15(11(4)10(2)3)9-12-8-13(16)6-7-14(12)17/h6-8,10-11,15,18H,5,9H2,1-4H3
InChIKeyJDSZMOOGJMXKEH-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116716823
4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81016553
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 62600953
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623
1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135476
N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115726285
N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine
CID 82262467
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 102619350
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078
1-(2,4-difluorophenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 104519997
2-(2,5-difluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115810208
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine (CID 115810544) is 1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine is CCNC(Cc1cc(F)ccc1F)C(C)C(C)C.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine?
The InChIKey is JDSZMOOGJMXKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-5-18-15(11(4)10(2)3)9-12-8-13(16)6-7-14(12)17/h6-8,10-11,15,18H,5,9H2,1-4H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine?
1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine is sourced from PubChem (CID 115810544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).