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

C16H19FN2 — CID 54805514

IUPACN'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCNc2ccc(F)cc2)c1C
InChIInChI=1S/C16H19FN2/c1-12-4-3-5-16(13(12)2)19-11-10-18-15-8-6-14(17)7-9-15/h3-9,18-19H,10-11H2,1-2H3
InChIKeyDCTOHZYFUVOUBI-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.97
Rot. Bonds5

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

N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine (PubChem CID 54805514) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
PubChem CID54805514
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCNc2ccc(F)cc2)c1C
InChIInChI=1S/C16H19FN2/c1-12-4-3-5-16(13(12)2)19-11-10-18-15-8-6-14(17)7-9-15/h3-9,18-19H,10-11H2,1-2H3
InChIKeyDCTOHZYFUVOUBI-UHFFFAOYSA-N
XLogP3.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 54805936
N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809939
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 55088214
N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809532
N'-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54809449
N'-(2,3-dimethylphenyl)pentane-1,5-diamine
CID 129283902
2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54807006
3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63076753
4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline
CID 82095998

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine (CID 54805514) is N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine is Cc1cccc(NCCNc2ccc(F)cc2)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is DCTOHZYFUVOUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-4-3-5-16(13(12)2)19-11-10-18-15-8-6-14(17)7-9-15/h3-9,18-19H,10-11H2,1-2H3.
What are the key properties of N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).