1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine

C14H13F3N2 — CID 59268598

IUPAC1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine
SMILESCN(Cc1c(F)cccc1F)c1ccc(F)c(N)c1
InChIInChI=1S/C14H13F3N2/c1-19(9-5-6-13(17)14(18)7-9)8-10-11(15)3-2-4-12(10)16/h2-7H,8,18H2,1H3
InChIKeySRNQNCDDNMJKFJ-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.32
Rot. Bonds3

About 1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine

1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine (PubChem CID 59268598) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine
PubChem CID59268598
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine
SMILESCN(Cc1c(F)cccc1F)c1ccc(F)c(N)c1
InChIInChI=1S/C14H13F3N2/c1-19(9-5-6-13(17)14(18)7-9)8-10-11(15)3-2-4-12(10)16/h2-7H,8,18H2,1H3
InChIKeySRNQNCDDNMJKFJ-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466040
1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine
CID 39237480
N'-[(2,6-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62682578
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
CID 39247780
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 43658941
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63672171
2-[2-amino-5-[(2-fluorophenyl)methyl-methylamino]phenyl]acetonitrile
CID 102623910
4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466083
3-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]benzonitrile
CID 106263993

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine (CID 59268598) is 1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine is CN(Cc1c(F)cccc1F)c1ccc(F)c(N)c1.
What is the InChIKey of 1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine?
The InChIKey is SRNQNCDDNMJKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-19(9-5-6-13(17)14(18)7-9)8-10-11(15)3-2-4-12(10)16/h2-7H,8,18H2,1H3.
What are the key properties of 1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine?
1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine has a molecular weight of 266.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 59268598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).