1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane

C20H32F3N — CID 154668730

IUPAC1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane
SMILESC=C(N)c1cccc(C(CCC)CCC)c1.CCCCC(F)(F)F
InChIInChI=1S/C15H23N.C5H9F3/c1-4-7-13(8-5-2)15-10-6-9-14(11-15)12(3)16;1-2-3-4-5(6,7)8/h6,9-11,13H,3-5,7-8,16H2,1-2H3;2-4H2,1H3
InChIKeyIENFVPMGHUALJO-UHFFFAOYSA-N
MW343.48 g/mol
LogP7.04
Rot. Bonds8

About 1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane

1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane (PubChem CID 154668730) has the molecular formula C20H32F3N and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane.

Molecular Properties

Compound Name1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane
PubChem CID154668730
Molecular FormulaC20H32F3N
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC Name1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane
SMILESC=C(N)c1cccc(C(CCC)CCC)c1.CCCCC(F)(F)F
InChIInChI=1S/C15H23N.C5H9F3/c1-4-7-13(8-5-2)15-10-6-9-14(11-15)12(3)16;1-2-3-4-5(6,7)8/h6,9-11,13H,3-5,7-8,16H2,1-2H3;2-4H2,1H3
InChIKeyIENFVPMGHUALJO-UHFFFAOYSA-N
XLogP7.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.48
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-octan-4-ylbenzoate
CID 155299316
3-octan-4-ylphenol
CID 54137408
(3-octan-4-ylphenyl)methanamine
CID 142098371
3-[3-(trifluoromethyl)phenyl]hexanamide
CID 112509132
1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
CID 106695875
3-(1-aminoheptan-4-yl)phenol
CID 83930253
8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide
CID 142098297
1-(difluoromethoxy)-3-octan-4-ylbenzene
CID 143471729
1-hex-1-en-2-yl-3-propan-2-ylbenzene
CID 160544423
5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
CID 115515411
3-(1-fluorooctan-4-yl)phenol
CID 145284154
1-heptan-3-yl-3-(trifluoromethyl)benzene
CID 132500569

Frequently Asked Questions

What is the IUPAC name of 1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane?
The IUPAC name of 1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane (CID 154668730) is 1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane.
What is the SMILES notation for 1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane?
The canonical SMILES for 1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane is C=C(N)c1cccc(C(CCC)CCC)c1.CCCCC(F)(F)F.
What is the InChIKey of 1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane?
The InChIKey is IENFVPMGHUALJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C5H9F3/c1-4-7-13(8-5-2)15-10-6-9-14(11-15)12(3)16;1-2-3-4-5(6,7)8/h6,9-11,13H,3-5,7-8,16H2,1-2H3;2-4H2,1H3.
What are the key properties of 1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane?
1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane has a molecular weight of 343.48 g/mol, XLogP of 7.04, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-heptan-4-ylphenyl)ethenamine;1,1,1-trifluoropentane is sourced from PubChem (CID 154668730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).