1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine

C15H17FN2 — CID 16792617

IUPAC1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCN(CC(N)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H17FN2/c1-18(14-5-3-2-4-6-14)11-15(17)12-7-9-13(16)10-8-12/h2-10,15H,11,17H2,1H3
InChIKeyNUQDUBPLTIIDTD-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine

1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine (PubChem CID 16792617) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
PubChem CID16792617
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCN(CC(N)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H17FN2/c1-18(14-5-3-2-4-6-14)11-15(17)12-7-9-13(16)10-8-12/h2-10,15H,11,17H2,1H3
InChIKeyNUQDUBPLTIIDTD-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520745
N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 107520614
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine
CID 57279537
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
1-(3,4-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520674
1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520687
1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine (CID 16792617) is 1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine is CN(CC(N)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine?
The InChIKey is NUQDUBPLTIIDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-18(14-5-3-2-4-6-14)11-15(17)12-7-9-13(16)10-8-12/h2-10,15H,11,17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine?
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine has a molecular weight of 244.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 16792617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).