1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine

C16H26FN3 — CID 105374270

IUPAC1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CN(C)CCCN1C
InChIInChI=1S/C16H26FN3/c1-12-5-6-14(17)9-13(12)10-15(18)16-11-19(2)7-4-8-20(16)3/h5-6,9,15-16H,4,7-8,10-11,18H2,1-3H3
InChIKeyAOHGFOWZVHDCAV-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.64
Rot. Bonds3

About 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine

1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105374270) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105374270
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CN(C)CCCN1C
InChIInChI=1S/C16H26FN3/c1-12-5-6-14(17)9-13(12)10-15(18)16-11-19(2)7-4-8-20(16)3/h5-6,9,15-16H,4,7-8,10-11,18H2,1-3H3
InChIKeyAOHGFOWZVHDCAV-UHFFFAOYSA-N
XLogP1.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105261332
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 79658920
1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine
CID 83183174
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
[2-(2,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247218
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105377006
2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
CID 105377396
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105261273
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347344
1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
CID 79658342

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105374270) is 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1CC(N)C1CN(C)CCCN1C.
What is the InChIKey of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is AOHGFOWZVHDCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-12-5-6-14(17)9-13(12)10-15(18)16-11-19(2)7-4-8-20(16)3/h5-6,9,15-16H,4,7-8,10-11,18H2,1-3H3.
What are the key properties of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine?
1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 279.40 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105374270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).