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

C14H14F2N2O — CID 62533179

IUPAC3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1cccc(CNc2c(N)ccc(F)c2F)c1
InChIInChI=1S/C14H14F2N2O/c1-19-10-4-2-3-9(7-10)8-18-14-12(17)6-5-11(15)13(14)16/h2-7,18H,8,17H2,1H3
InChIKeyZZJOVLWQUPDSNZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.17
Rot. Bonds4

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

3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine (PubChem CID 62533179) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
PubChem CID62533179
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1cccc(CNc2c(N)ccc(F)c2F)c1
InChIInChI=1S/C14H14F2N2O/c1-19-10-4-2-3-9(7-10)8-18-14-12(17)6-5-11(15)13(14)16/h2-7,18H,8,17H2,1H3
InChIKeyZZJOVLWQUPDSNZ-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-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107845304
3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 62533324
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
3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 62991499
3-fluoro-1-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 54911085
4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 66099500
3,5-difluoro-4-[(3-methoxyphenyl)methylamino]benzenecarbothioamide
CID 81285851
2-N-[(3-chloro-4-fluorophenyl)methyl]-3,4-difluorobenzene-1,2-diamine
CID 62533702
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine (CID 62533179) is 3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine is COc1cccc(CNc2c(N)ccc(F)c2F)c1.
What is the InChIKey of 3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine?
The InChIKey is ZZJOVLWQUPDSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-19-10-4-2-3-9(7-10)8-18-14-12(17)6-5-11(15)13(14)16/h2-7,18H,8,17H2,1H3.
What are the key properties of 3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine?
3,4-difluoro-2-N-[(3-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-[(3-methoxyphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 62533179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).