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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Related Compounds

Pyridine, 1,4,5,6-tetrahydro-1,2-dimethyl-
CID 13679998
Pyridine, 1-ethyl-1,2,3,4-tetrahydro-6-methyl-
CID 45087233
1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 22637871
N-butyl-1-fluoro-N-(fluoromethyl)cyclohexa-2,4-dien-1-amine
CID 22638271
N-butyl-N-ethyl-1-fluorocyclohexa-2,4-dien-1-amine
CID 23123359
N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
CID 70333081
6-Fluoro-1-methyl-2,3,6,7-tetrahydroindole
CID 89202987
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
N-(1-cyclopropylideneethyl)-N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]hexa-2,4-dien-3-amine
CID 123404943
6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123629047
4-fluoro-N-methyl-N-(3-methylidenepenta-1,4-dienyl)cyclohexa-1,3-dien-1-amine
CID 123679769
3-chloro-4-fluoro-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123736791

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).