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

C18H23FN2 — CID 62979148

IUPACN'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1C(N)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-13-8-4-5-9-15(13)18(20)12-21(3)14(2)16-10-6-7-11-17(16)19/h4-11,14,18H,12,20H2,1-3H3
InChIKeyOPGYGCCBJANPJN-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.83
Rot. Bonds5

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

N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 62979148) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
PubChem CID62979148
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1C(N)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-13-8-4-5-9-15(13)18(20)12-21(3)14(2)16-10-6-7-11-17(16)19/h4-11,14,18H,12,20H2,1-3H3
InChIKeyOPGYGCCBJANPJN-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol
CID 62983990
N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 55001596
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81101528
N'-(1-cyclopropylethyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43569043
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 114058272
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582
N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 43295706

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine (CID 62979148) is N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine is Cc1ccccc1C(N)CN(C)C(C)c1ccccc1F.
What is the InChIKey of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is OPGYGCCBJANPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-13-8-4-5-9-15(13)18(20)12-21(3)14(2)16-10-6-7-11-17(16)19/h4-11,14,18H,12,20H2,1-3H3.
What are the key properties of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62979148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).