2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine

C16H25F2N3 — CID 105406851

IUPAC2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)C1CN(C)CCCN1C
InChIInChI=1S/C16H25F2N3/c1-19-15(9-12-7-13(17)10-14(18)8-12)16-11-20(2)5-4-6-21(16)3/h7-8,10,15-16,19H,4-6,9,11H2,1-3H3
InChIKeyXNMXYDNGZPZROD-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.73
Rot. Bonds4

About 2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine

2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine (PubChem CID 105406851) has the molecular formula C16H25F2N3 and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
PubChem CID105406851
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC Name2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)C1CN(C)CCCN1C
InChIInChI=1S/C16H25F2N3/c1-19-15(9-12-7-13(17)10-14(18)8-12)16-11-20(2)5-4-6-21(16)3/h7-8,10,15-16,19H,4-6,9,11H2,1-3H3
InChIKeyXNMXYDNGZPZROD-UHFFFAOYSA-N
XLogP1.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105412951
2-(2-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 115983959
2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658598
1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876253
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 107895279
[2-(3-chloro-4-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 103044060
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105261332
2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79659510
[2-(2,6-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261363
2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79664162

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine (CID 105406851) is 2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)C1CN(C)CCCN1C.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine?
The InChIKey is XNMXYDNGZPZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-19-15(9-12-7-13(17)10-14(18)8-12)16-11-20(2)5-4-6-21(16)3/h7-8,10,15-16,19H,4-6,9,11H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine?
2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine has a molecular weight of 297.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine is sourced from PubChem (CID 105406851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).