N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane

C13H23FN2 — CID 145194727

IUPACN'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
SMILESCC.Cc1ccc(NCC(F)CN)cc1C
InChIInChI=1S/C11H17FN2.C2H6/c1-8-3-4-11(5-9(8)2)14-7-10(12)6-13;1-2/h3-5,10,14H,6-7,13H2,1-2H3;1-2H3
InChIKeyPJMDBFKHAZOYNW-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.04
Rot. Bonds4

About N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane

N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane (PubChem CID 145194727) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
PubChem CID145194727
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC NameN'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
SMILESCC.Cc1ccc(NCC(F)CN)cc1C
InChIInChI=1S/C11H17FN2.C2H6/c1-8-3-4-11(5-9(8)2)14-7-10(12)6-13;1-2/h3-5,10,14H,6-7,13H2,1-2H3;1-2H3
InChIKeyPJMDBFKHAZOYNW-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3,4-dimethylphenyl)propane-1,2-diamine
CID 83695989
1-N-(3,4-dimethylphenyl)butane-1,2-diamine
CID 83961425
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
2-amino-3-(3,4-dimethylanilino)propanoic acid
CID 103234153
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
3-fluoro-N-(2-fluorobutyl)-4-methylaniline
CID 130662936
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
3-(3,4-dimethylanilino)propanamide
CID 43131963
(2R,3S,4R)-5-(3,4-dimethylanilino)pentane-1,2,3,4-tetrol
CID 688650
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate
CID 103234166
2-(3,4-dimethylanilino)acetamide
CID 28580413

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane?
The IUPAC name of N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane (CID 145194727) is N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane?
The canonical SMILES for N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane is CC.Cc1ccc(NCC(F)CN)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane?
The InChIKey is PJMDBFKHAZOYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2.C2H6/c1-8-3-4-11(5-9(8)2)14-7-10(12)6-13;1-2/h3-5,10,14H,6-7,13H2,1-2H3;1-2H3.
What are the key properties of N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane?
N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane has a molecular weight of 226.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane is sourced from PubChem (CID 145194727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).