N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine

C9H13FN2 — CID 139317380

IUPACN'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine
SMILESCc1cccc(F)c1N(C)CN
InChIInChI=1S/C9H13FN2/c1-7-4-3-5-8(10)9(7)12(2)6-11/h3-5H,6,11H2,1-2H3
InChIKeyNCSTYJCPYFLHAG-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.49
Rot. Bonds2

About N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine

N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine (PubChem CID 139317380) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine
PubChem CID139317380
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC NameN'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine
SMILESCc1cccc(F)c1N(C)CN
InChIInChI=1S/C9H13FN2/c1-7-4-3-5-8(10)9(7)12(2)6-11/h3-5H,6,11H2,1-2H3
InChIKeyNCSTYJCPYFLHAG-UHFFFAOYSA-N
XLogP1.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine?
The IUPAC name of N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine (CID 139317380) is N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine.
What is the SMILES notation for N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine?
The canonical SMILES for N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine is Cc1cccc(F)c1N(C)CN.
What is the InChIKey of N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine?
The InChIKey is NCSTYJCPYFLHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-7-4-3-5-8(10)9(7)12(2)6-11/h3-5H,6,11H2,1-2H3.
What are the key properties of N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine?
N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine has a molecular weight of 168.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine is sourced from PubChem (CID 139317380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).