1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine

C10H16FN — CID 22637871

IUPAC1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCN(C)C1(F)C=CC=CC1
InChIInChI=1S/C10H16FN/c1-3-9-12(2)10(11)7-5-4-6-8-10/h4-7H,3,8-9H2,1-2H3
InChIKeyLEOBFFHWVCTIOA-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.51
Rot. Bonds3

About 1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine

1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine (PubChem CID 22637871) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
PubChem CID22637871
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCN(C)C1(F)C=CC=CC1
InChIInChI=1S/C10H16FN/c1-3-9-12(2)10(11)7-5-4-6-8-10/h4-7H,3,8-9H2,1-2H3
InChIKeyLEOBFFHWVCTIOA-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-N-(fluoromethyl)-N-hexylcyclohexa-2,4-dien-1-amine
CID 17948295
1-fluoro-N-hexyl-N-methylcyclohexa-2,4-dien-1-amine
CID 17948373
N-butyl-1-fluoro-N-hexylcyclohexa-2,4-dien-1-amine
CID 17948392
1-fluoro-N-(fluoromethyl)-N-methylcyclohexa-2,4-dien-1-amine
CID 22638016
N-butyl-1-fluoro-N-(fluoromethyl)cyclohexa-2,4-dien-1-amine
CID 22638271
1-(1-Fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
CID 22638301
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
N-butyl-N-ethyl-1-fluorocyclohexa-2,4-dien-1-amine
CID 23123359
1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine
CID 23123430
N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine
CID 23123695
4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
CID 69078269
1-fluoro-N-hexyl-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 69896644

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine (CID 22637871) is 1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine is CCCN(C)C1(F)C=CC=CC1.
What is the InChIKey of 1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The InChIKey is LEOBFFHWVCTIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-9-12(2)10(11)7-5-4-6-8-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine?
1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 22637871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).