N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine

C10H15FN2 — CID 115226004

IUPACN'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
SMILESCc1cc(CCNCN)ccc1F
InChIInChI=1S/C10H15FN2/c1-8-6-9(2-3-10(8)11)4-5-13-7-12/h2-3,6,13H,4-5,7,12H2,1H3
InChIKeyJIWLUUBMVQNVGV-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.18
Rot. Bonds4

About N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine

N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine (PubChem CID 115226004) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine.

Molecular Properties

Compound NameN'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
PubChem CID115226004
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC NameN'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
SMILESCc1cc(CCNCN)ccc1F
InChIInChI=1S/C10H15FN2/c1-8-6-9(2-3-10(8)11)4-5-13-7-12/h2-3,6,13H,4-5,7,12H2,1H3
InChIKeyJIWLUUBMVQNVGV-UHFFFAOYSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.18
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

N'-[2-(3,4-dimethylphenyl)ethyl]methanediamine
CID 115225997
N'-[2-(4-fluoro-3-methylphenyl)ethyl]butane-1,4-diamine
CID 115201373
N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200147
[2-(4-fluoro-3-methylphenyl)ethylamino]methanethiol
CID 115228200
3-N-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134906
4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 115239906
2-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250409
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140036
1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
CID 115169314
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210410
[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249064

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine?
The IUPAC name of N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine (CID 115226004) is N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine.
What is the SMILES notation for N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine?
The canonical SMILES for N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine is Cc1cc(CCNCN)ccc1F.
What is the InChIKey of N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine?
The InChIKey is JIWLUUBMVQNVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-8-6-9(2-3-10(8)11)4-5-13-7-12/h2-3,6,13H,4-5,7,12H2,1H3.
What are the key properties of N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine?
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine has a molecular weight of 182.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine is sourced from PubChem (CID 115226004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).