N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine

C9H13FN2 — CID 130589219

IUPACN'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCN)c1F
InChIInChI=1S/C9H13FN2/c1-7-3-2-4-8(9(7)10)12-6-5-11/h2-4,12H,5-6,11H2,1H3
InChIKeyOTUQSCCEIMQAQJ-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.50
Rot. Bonds3

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

N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine (PubChem CID 130589219) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine
PubChem CID130589219
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC NameN'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCN)c1F
InChIInChI=1S/C9H13FN2/c1-7-3-2-4-8(9(7)10)12-6-5-11/h2-4,12H,5-6,11H2,1H3
InChIKeyOTUQSCCEIMQAQJ-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine (CID 130589219) is N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine is Cc1cccc(NCCN)c1F.
What is the InChIKey of N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine?
The InChIKey is OTUQSCCEIMQAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-7-3-2-4-8(9(7)10)12-6-5-11/h2-4,12H,5-6,11H2,1H3.
What are the key properties of N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine?
N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine has a molecular weight of 168.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 130589219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).