(1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine

C8H12FN — CID 89270262

IUPAC(1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCC1=CCC(F)(CN)C=C1
InChIInChI=1S/C8H12FN/c1-7-2-4-8(9,6-10)5-3-7/h2-4H,5-6,10H2,1H3
InChIKeyOHCIUVIYGCJJLL-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.56
Rot. Bonds1

About (1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine

(1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 89270262) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine
PubChem CID89270262
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCC1=CCC(F)(CN)C=C1
InChIInChI=1S/C8H12FN/c1-7-2-4-8(9,6-10)5-3-7/h2-4H,5-6,10H2,1H3
InChIKeyOHCIUVIYGCJJLL-UHFFFAOYSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine 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

(r)-4-Fluoro-1-methylbenzylamine
CID 129850911
4-Fluoro-1-methylbenzylamine
CID 129851226
1-Methylphenylmethylamine
CID 20261165
3,4-Dihydrophenylethyl-amine
CID 21074092
(R)-(+)-1-Methylbenzylamine
CID 56924128
(s)-1-Methylbenzylamine
CID 66996847
[1-Fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 67402819
(4-Fluorocyclohexa-2,4-dien-1-yl)methanamine
CID 68240582
(1,4-Difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 69051450
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(6-Fluorocyclohexa-1,3,4-trien-1-yl)methanamine
CID 88561653

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine (CID 89270262) is (1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine is CC1=CCC(F)(CN)C=C1.
What is the InChIKey of (1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is OHCIUVIYGCJJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-7-2-4-8(9,6-10)5-3-7/h2-4H,5-6,10H2,1H3.
What are the key properties of (1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine?
(1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 141.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 89270262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).