N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine

C16H19FN2 — CID 28771619

IUPACN'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FN2/c1-13-2-4-14(5-3-13)12-19(11-10-18)16-8-6-15(17)7-9-16/h2-9H,10-12,18H2,1H3
InChIKeyPJDZBSRESDDKGK-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.10
Rot. Bonds5

About N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine

N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 28771619) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID28771619
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FN2/c1-13-2-4-14(5-3-13)12-19(11-10-18)16-8-6-15(17)7-9-16/h2-9H,10-12,18H2,1H3
InChIKeyPJDZBSRESDDKGK-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'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771400
N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine
CID 28770757
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
CID 70930364
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
N'-(2-fluorophenyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 28771458
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393
1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
CID 770559
3-N-[(4-fluorophenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 55175554
N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
CID 28769273
N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 39373844
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline
CID 63189385

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine (CID 28771619) is N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine is Cc1ccc(CN(CCN)c2ccc(F)cc2)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is PJDZBSRESDDKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-13-2-4-14(5-3-13)12-19(11-10-18)16-8-6-15(17)7-9-16/h2-9H,10-12,18H2,1H3.
What are the key properties of N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]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'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 28771619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).