(6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine

C14H12FNO2 — CID 12002132

IUPAC(6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine
SMILESNCC1Oc2cc(F)cc(-c3ccccc3)c2O1
InChIInChI=1S/C14H12FNO2/c15-10-6-11(9-4-2-1-3-5-9)14-12(7-10)17-13(8-16)18-14/h1-7,13H,8,16H2
InChIKeyQYSTUMVZIPZKMY-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.55
Rot. Bonds2

About (6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine

(6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine (PubChem CID 12002132) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is (6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine
PubChem CID12002132
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name(6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine
SMILESNCC1Oc2cc(F)cc(-c3ccccc3)c2O1
InChIInChI=1S/C14H12FNO2/c15-10-6-11(9-4-2-1-3-5-9)14-12(7-10)17-13(8-16)18-14/h1-7,13H,8,16H2
InChIKeyQYSTUMVZIPZKMY-UHFFFAOYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-fluoro-4-phenyl-1,3-benzodioxol-2-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

3-(1,3-Benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-1-amine
CID 3703449
US11389456, Ex. No. I-304
CID 165414416
US11389456, Ex. No. I-305
CID 165414417
3-Benzo[1,3]dioxol-5-yl-4-phenyl-butylamine
CID 3137719
{2-[(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]ethyl}amine hydrochloride
CID 16109477
3-Benzo[1,3]dioxol-5-yl-3-(2-methoxy-phenyl)-propylamine
CID 3137710
7-(2-Aminoethoxy)-2,2-dimethyl-2,3-dihydro-1-benzofuran hydrochloride
CID 43810586
2-[2-[2-(1,3-Benzodioxol-4-yl)ethyl]phenyl]ethanamine
CID 129844568
4-(4-Methyl-1,3-benzodioxol-2-yl)butan-1-amine
CID 132276854
3-[2-(1,3-benzodioxol-5-yl)phenoxy]-N-methylpropan-1-amine
CID 56709808
3-(1,3-Benzodioxol-5-yl)-2-phenylpropan-1-amine
CID 3079827
2-(6-Fluorochroman-8-yloxy)ethylamine
CID 10512677

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine?
The IUPAC name of (6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine (CID 12002132) is (6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine.
What is the SMILES notation for (6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine?
The canonical SMILES for (6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine is NCC1Oc2cc(F)cc(-c3ccccc3)c2O1.
What is the InChIKey of (6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine?
The InChIKey is QYSTUMVZIPZKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-10-6-11(9-4-2-1-3-5-9)14-12(7-10)17-13(8-16)18-14/h1-7,13H,8,16H2.
What are the key properties of (6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine?
(6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine has a molecular weight of 245.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine is sourced from PubChem (CID 12002132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).