N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine

C16H19FN2O — CID 65385518

IUPACN-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C16H19FN2O/c1-11-8-12(6-7-16(11)20-2)15(10-18)19-14-5-3-4-13(17)9-14/h3-9,15,19H,10,18H2,1-2H3
InChIKeyOUECSWYOEKJAKZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.25
Rot. Bonds5

About N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine

N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine (PubChem CID 65385518) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
PubChem CID65385518
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C16H19FN2O/c1-11-8-12(6-7-16(11)20-2)15(10-18)19-14-5-3-4-13(17)9-14/h3-9,15,19H,10,18H2,1-2H3
InChIKeyOUECSWYOEKJAKZ-UHFFFAOYSA-N
XLogP3.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937210
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
1-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383399
2-(3-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131901
1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
CID 62131550
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 107364475
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65378384
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
CID 43194273
1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 81437578
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine (CID 65385518) is N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine is COc1ccc(C(CN)Nc2cccc(F)c2)cc1C.
What is the InChIKey of N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine?
The InChIKey is OUECSWYOEKJAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11-8-12(6-7-16(11)20-2)15(10-18)19-14-5-3-4-13(17)9-14/h3-9,15,19H,10,18H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine?
N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65385518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).