1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine

C10H15FN2 — CID 127004323

IUPAC1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
SMILESCNC(CN)c1cccc(C)c1F
InChIInChI=1S/C10H15FN2/c1-7-4-3-5-8(10(7)11)9(6-12)13-2/h3-5,9,13H,6,12H2,1-2H3
InChIKeyNAZOZIZTJOGOOE-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.35
Rot. Bonds3

About 1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine

1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine (PubChem CID 127004323) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
PubChem CID127004323
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
SMILESCNC(CN)c1cccc(C)c1F
InChIInChI=1S/C10H15FN2/c1-7-4-3-5-8(10(7)11)9(6-12)13-2/h3-5,9,13H,6,12H2,1-2H3
InChIKeyNAZOZIZTJOGOOE-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834345
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848387
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
CID 105005948
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
1-(2,3-difluorophenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65378631
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844233
1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81477797
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81477959
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
[4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine
CID 105313967

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine (CID 127004323) is 1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine is CNC(CN)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is NAZOZIZTJOGOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-7-4-3-5-8(10(7)11)9(6-12)13-2/h3-5,9,13H,6,12H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine?
1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 182.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 127004323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).