1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine

C15H17FN2O — CID 65379421

IUPAC1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2ccccc2F)c1
InChIInChI=1S/C15H17FN2O/c1-19-12-6-4-5-11(9-12)18-15(10-17)13-7-2-3-8-14(13)16/h2-9,15,18H,10,17H2,1H3
InChIKeyMYOVOCWVOAKVHP-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.95
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine

1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 65379421) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
PubChem CID65379421
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2ccccc2F)c1
InChIInChI=1S/C15H17FN2O/c1-19-12-6-4-5-11(9-12)18-15(10-17)13-7-2-3-8-14(13)16/h2-9,15,18H,10,17H2,1H3
InChIKeyMYOVOCWVOAKVHP-UHFFFAOYSA-N
XLogP2.95
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65376485
1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65378155
1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 81437578
1-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383399
1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377522
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
2-(2-fluorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023293
1-(2-fluorophenyl)-2-(3-methoxyanilino)ethanol
CID 60900716
N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 65379203
1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377102
3-bromo-N-[1-(2-fluorophenyl)propyl]-5-methoxyaniline
CID 115994440
2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile
CID 115994291

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (CID 65379421) is 1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is COc1cccc(NC(CN)c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is MYOVOCWVOAKVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-19-12-6-4-5-11(9-12)18-15(10-17)13-7-2-3-8-14(13)16/h2-9,15,18H,10,17H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 260.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65379421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).