N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine

C16H19FN2 — CID 28771222

IUPACN'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1N(CCN)Cc1ccccc1F
InChIInChI=1S/C16H19FN2/c1-13-6-2-5-9-16(13)19(11-10-18)12-14-7-3-4-8-15(14)17/h2-9H,10-12,18H2,1H3
InChIKeyFMOOWUSWLNXGRQ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.10
Rot. Bonds5

About N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine

N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 28771222) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine
PubChem CID28771222
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1N(CCN)Cc1ccccc1F
InChIInChI=1S/C16H19FN2/c1-13-6-2-5-9-16(13)19(11-10-18)12-14-7-3-4-8-15(14)17/h2-9H,10-12,18H2,1H3
InChIKeyFMOOWUSWLNXGRQ-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-fluorophenyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 28771458
3-[N-[(2-fluorophenyl)methyl]-2,6-dimethylanilino]propanoic acid
CID 82317455
N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 28771738
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
CID 63289026
N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 28770521
N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43318808
2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline
CID 64769965
N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 39357128
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol
CID 107701862
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine (CID 28771222) is N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine is Cc1ccccc1N(CCN)Cc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is FMOOWUSWLNXGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-13-6-2-5-9-16(13)19(11-10-18)12-14-7-3-4-8-15(14)17/h2-9H,10-12,18H2,1H3.
What are the key properties of N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine?
N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 28771222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).