N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine

C10H15FN2 — CID 115227243

IUPACN'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1ccccc1F
InChIInChI=1S/C10H15FN2/c1-12-8-13-7-6-9-4-2-3-5-10(9)11/h2-5,12-13H,6-8H2,1H3
InChIKeyVHELYMMKLDOGMU-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.13
Rot. Bonds5

About N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine

N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine (PubChem CID 115227243) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
PubChem CID115227243
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC NameN'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1ccccc1F
InChIInChI=1S/C10H15FN2/c1-12-8-13-7-6-9-4-2-3-5-10(9)11/h2-5,12-13H,6-8H2,1H3
InChIKeyVHELYMMKLDOGMU-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 155737133
1-[2-(2-fluorophenyl)ethylamino]propan-2-one
CID 115235072
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263
N-[2-(2-fluorophenyl)ethyl]pentan-1-amine
CID 28576989
N-[2-(2-fluorophenyl)ethyl]-2-methylidenebutan-1-amine
CID 66047104
N-[2-(2-fluorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28614584
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204
(Z)-4-[2-(2-fluorophenyl)ethylamino]-3-methylbut-2-enoic acid
CID 103233396
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000172

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine?
The IUPAC name of N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine (CID 115227243) is N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine?
The canonical SMILES for N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine is CNCNCCc1ccccc1F.
What is the InChIKey of N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine?
The InChIKey is VHELYMMKLDOGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-12-8-13-7-6-9-4-2-3-5-10(9)11/h2-5,12-13H,6-8H2,1H3.
What are the key properties of N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine?
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine has a molecular weight of 182.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine is sourced from PubChem (CID 115227243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).