(E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine

C13H17F2N — CID 82473430

IUPAC(E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine
SMILESCC(C)(N)CC/C=C/c1cc(F)ccc1F
InChIInChI=1S/C13H17F2N/c1-13(2,16)8-4-3-5-10-9-11(14)6-7-12(10)15/h3,5-7,9H,4,8,16H2,1-2H3/b5-3+
InChIKeyUBMWKNQVKLJDKW-HWKANZROSA-N
MW225.28 g/mol
LogP3.50
Rot. Bonds4

About (E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine

(E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine (PubChem CID 82473430) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is (E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine.

Molecular Properties

Compound Name(E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine
PubChem CID82473430
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name(E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine
SMILESCC(C)(N)CC/C=C/c1cc(F)ccc1F
InChIInChI=1S/C13H17F2N/c1-13(2,16)8-4-3-5-10-9-11(14)6-7-12(10)15/h3,5-7,9H,4,8,16H2,1-2H3/b5-3+
InChIKeyUBMWKNQVKLJDKW-HWKANZROSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromobut-1-enyl)-1,4-difluorobenzene
CID 79603526
3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
2-[(E)-but-1-enyl]-1,4-difluorobenzene
CID 58787158
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
(E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride
CID 82487103
(E)-4-(2,5-difluorophenyl)but-3-enoic acid
CID 82282110
N-[4-(2,5-difluorophenyl)but-3-enyl]cyclopropanamine
CID 79590863
N-tert-butyl-4-(5-fluoro-2-methylphenyl)but-3-en-1-amine
CID 79598780
4-[2-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487409
1-[2-(4-aminobut-1-enyl)-5-fluorophenyl]ethanone
CID 170487221
(E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine
CID 98017457
1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine
CID 116934749

Frequently Asked Questions

What is the IUPAC name of (E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine?
The IUPAC name of (E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine (CID 82473430) is (E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine.
What is the SMILES notation for (E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine?
The canonical SMILES for (E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine is CC(C)(N)CC/C=C/c1cc(F)ccc1F.
What is the InChIKey of (E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine?
The InChIKey is UBMWKNQVKLJDKW-HWKANZROSA-N. The full InChI is InChI=1S/C13H17F2N/c1-13(2,16)8-4-3-5-10-9-11(14)6-7-12(10)15/h3,5-7,9H,4,8,16H2,1-2H3/b5-3+.
What are the key properties of (E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine?
(E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine has a molecular weight of 225.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine is sourced from PubChem (CID 82473430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).