4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine

C10H16FN — CID 143106653

IUPAC4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine
SMILESCCCN(C)C1=CC=C(F)CC1
InChIInChI=1S/C10H16FN/c1-3-8-12(2)10-6-4-9(11)5-7-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyDPFMZQZYFYGJJI-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.86
Rot. Bonds3

About 4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine

4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine (PubChem CID 143106653) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine
PubChem CID143106653
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine
SMILESCCCN(C)C1=CC=C(F)CC1
InChIInChI=1S/C10H16FN/c1-3-8-12(2)10-6-4-9(11)5-7-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyDPFMZQZYFYGJJI-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine (CID 143106653) is 4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine is CCCN(C)C1=CC=C(F)CC1.
What is the InChIKey of 4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine?
The InChIKey is DPFMZQZYFYGJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-8-12(2)10-6-4-9(11)5-7-10/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine?
4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143106653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).