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

C16H25F2N — CID 82923051

IUPAC1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)CC(CC)CC
InChIInChI=1S/C16H25F2N/c1-4-12(5-2)9-16(19-6-3)10-13-7-14(17)11-15(18)8-13/h7-8,11-12,16,19H,4-6,9-10H2,1-3H3
InChIKeyYIYZXPMEZUDXSX-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.31
Rot. Bonds8

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

1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine (PubChem CID 82923051) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
PubChem CID82923051
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)CC(CC)CC
InChIInChI=1S/C16H25F2N/c1-4-12(5-2)9-16(19-6-3)10-13-7-14(17)11-15(18)8-13/h7-8,11-12,16,19H,4-6,9-10H2,1-3H3
InChIKeyYIYZXPMEZUDXSX-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

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Related Compounds

1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 105412463
1-(4-bromophenyl)-N,4-diethylhexan-2-amine
CID 82920737
N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028045
1-(3,5-difluorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 105406250
4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 105406565
1-(3,5-difluorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455261
1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105412474
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 105409747
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319
4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 103149509
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine (CID 82923051) is 1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine is CCNC(Cc1cc(F)cc(F)c1)CC(CC)CC.
What is the InChIKey of 1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine?
The InChIKey is YIYZXPMEZUDXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-12(5-2)9-16(19-6-3)10-13-7-14(17)11-15(18)8-13/h7-8,11-12,16,19H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine?
1-(3,5-difluorophenyl)-N,4-diethylhexan-2-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 1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine is sourced from PubChem (CID 82923051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).