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

C18H23FN2 — CID 62985120

IUPACN'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCN(C)C(C)c2ccccc2F)cc1
InChIInChI=1S/C18H23FN2/c1-14-8-10-16(11-9-14)20-12-13-21(3)15(2)17-6-4-5-7-18(17)19/h4-11,15,20H,12-13H2,1-3H3
InChIKeyZSEAOCSKILCJTH-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.24
Rot. Bonds6

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

N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 62985120) 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-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID62985120
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCN(C)C(C)c2ccccc2F)cc1
InChIInChI=1S/C18H23FN2/c1-14-8-10-16(11-9-14)20-12-13-21(3)15(2)17-6-4-5-7-18(17)19/h4-11,15,20H,12-13H2,1-3H3
InChIKeyZSEAOCSKILCJTH-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62985101
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62984584
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63503138
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62978094
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine
CID 62977924
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
CID 65257421
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine (CID 62985120) is N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(NCCN(C)C(C)c2ccccc2F)cc1.
What is the InChIKey of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is ZSEAOCSKILCJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-14-8-10-16(11-9-14)20-12-13-21(3)15(2)17-6-4-5-7-18(17)19/h4-11,15,20H,12-13H2,1-3H3.
What are the key properties of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine?
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 286.39 g/mol, XLogP of 4.24, 6 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-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62985120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).