1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine

C16H15ClFNO2 — CID 12002158

IUPAC1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1Oc2cc(F)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H15ClFNO2/c1-19(2)9-15-20-14-8-10(18)7-12(16(14)21-15)11-5-3-4-6-13(11)17/h3-8,15H,9H2,1-2H3
InChIKeyQWKAQHNKIMCKGN-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.81
Rot. Bonds3

About 1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine

1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine (PubChem CID 12002158) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine
PubChem CID12002158
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1Oc2cc(F)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H15ClFNO2/c1-19(2)9-15-20-14-8-10(18)7-12(16(14)21-15)11-5-3-4-6-13(11)17/h3-8,15H,9H2,1-2H3
InChIKeyQWKAQHNKIMCKGN-UHFFFAOYSA-N
XLogP3.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

{[2-(5-Benzo[1,3]dioxol-5-yl-2''-chloro-biphenyl-2-yloxy)-ethyl]-methyl-amino}-acetic acid
CID 44444291
(6-Fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine
CID 12002132
[4-(3-Chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002133
[4-(4-Chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002134
[6-Fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine
CID 12002135
[4-(2,5-Dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002136
[4-(2-Chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002153
[(2S)-4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002154
[(2R)-4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002155
1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N-methylmethanamine
CID 12002156
N-{[4-(2-Chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methyl}ethanamine
CID 12002157
[6-Chloro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine
CID 12002177

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine (CID 12002158) is 1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine is CN(C)CC1Oc2cc(F)cc(-c3ccccc3Cl)c2O1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine?
The InChIKey is QWKAQHNKIMCKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-19(2)9-15-20-14-8-10(18)7-12(16(14)21-15)11-5-3-4-6-13(11)17/h3-8,15H,9H2,1-2H3.
What are the key properties of 1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine?
1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 307.75 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 12002158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).