3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine

C14H14F2N2O — CID 62533324

IUPAC3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1ccc(CNc2c(N)ccc(F)c2F)cc1
InChIInChI=1S/C14H14F2N2O/c1-19-10-4-2-9(3-5-10)8-18-14-12(17)7-6-11(15)13(14)16/h2-7,18H,8,17H2,1H3
InChIKeyXGXAALLXKMPCPL-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.17
Rot. Bonds4

About 3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine

3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine (PubChem CID 62533324) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
PubChem CID62533324
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1ccc(CNc2c(N)ccc(F)c2F)cc1
InChIInChI=1S/C14H14F2N2O/c1-19-10-4-2-9(3-5-10)8-18-14-12(17)7-6-11(15)13(14)16/h2-7,18H,8,17H2,1H3
InChIKeyXGXAALLXKMPCPL-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

3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 62533179
3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 62991499
2-N-[(3-chloro-4-fluorophenyl)methyl]-3,4-difluorobenzene-1,2-diamine
CID 62533702
3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107845304
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
3,4-difluoro-2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 55086262
2-N-[(3-chlorophenyl)methyl]-3,4-difluorobenzene-1,2-diamine
CID 62533701
2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 83077206
2-N-(1,3-benzodioxol-5-ylmethyl)-3,4-difluorobenzene-1,2-diamine
CID 62906485
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
3,4-difluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine
CID 62533697

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine (CID 62533324) is 3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine is COc1ccc(CNc2c(N)ccc(F)c2F)cc1.
What is the InChIKey of 3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine?
The InChIKey is XGXAALLXKMPCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-19-10-4-2-9(3-5-10)8-18-14-12(17)7-6-11(15)13(14)16/h2-7,18H,8,17H2,1H3.
What are the key properties of 3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine?
3,4-difluoro-2-N-[(4-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 3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 62533324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).