N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine

C14H20FN — CID 146169489

IUPACN-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine
SMILESCCCN(/C=C/c1cccc(F)c1)CCC
InChIInChI=1S/C14H20FN/c1-3-9-16(10-4-2)11-8-13-6-5-7-14(15)12-13/h5-8,11-12H,3-4,9-10H2,1-2H3/b11-8+
InChIKeySSQKPCMFZLAEEP-DHZHZOJOSA-N
MW221.32 g/mol
LogP3.92
Rot. Bonds6

About N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine

N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine (PubChem CID 146169489) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine
PubChem CID146169489
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine
SMILESCCCN(/C=C/c1cccc(F)c1)CCC
InChIInChI=1S/C14H20FN/c1-3-9-16(10-4-2)11-8-13-6-5-7-14(15)12-13/h5-8,11-12H,3-4,9-10H2,1-2H3/b11-8+
InChIKeySSQKPCMFZLAEEP-DHZHZOJOSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine (CID 146169489) is N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine is CCCN(/C=C/c1cccc(F)c1)CCC.
What is the InChIKey of N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine?
The InChIKey is SSQKPCMFZLAEEP-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-9-16(10-4-2)11-8-13-6-5-7-14(15)12-13/h5-8,11-12H,3-4,9-10H2,1-2H3/b11-8+.
What are the key properties of N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine?
N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3-fluorophenyl)ethenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 146169489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).