4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine

C14H14F2N2O — CID 115124144

IUPAC4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1ccc(F)cc1CNc1cc(F)ccc1N
InChIInChI=1S/C14H14F2N2O/c1-19-14-5-3-10(15)6-9(14)8-18-13-7-11(16)2-4-12(13)17/h2-7,18H,8,17H2,1H3
InChIKeyTZUXAKHHAXJMCB-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.17
Rot. Bonds4

About 4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine

4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine (PubChem CID 115124144) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine
PubChem CID115124144
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1ccc(F)cc1CNc1cc(F)ccc1N
InChIInChI=1S/C14H14F2N2O/c1-19-14-5-3-10(15)6-9(14)8-18-13-7-11(16)2-4-12(13)17/h2-7,18H,8,17H2,1H3
InChIKeyTZUXAKHHAXJMCB-UHFFFAOYSA-N
XLogP3.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
1-N-[(2,4-difluorophenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597669
4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343041
2,5-difluoro-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 43212590
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
2-N-(5-bromo-2-methoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 55068109
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline
CID 43212586

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine (CID 115124144) is 4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine is COc1ccc(F)cc1CNc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine?
The InChIKey is TZUXAKHHAXJMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-19-14-5-3-10(15)6-9(14)8-18-13-7-11(16)2-4-12(13)17/h2-7,18H,8,17H2,1H3.
What are the key properties of 4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine?
4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine has a molecular weight of 264.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115124144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).