N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine

C24H25F2N3 — CID 24955566

IUPACN-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine
SMILESCC(C)(NCc1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1)c1ccccc1
InChIInChI=1S/C24H25F2N3/c1-24(2,17-6-4-3-5-7-17)27-14-20-22-15-8-9-16(12-15)23(22)29(28-20)21-11-10-18(25)13-19(21)26/h3-7,10-11,13,15-16,27H,8-9,12,14H2,1-2H3
InChIKeyCKBMFNDNZMZCOE-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.54
Rot. Bonds5

About N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine

N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine (PubChem CID 24955566) has the molecular formula C24H25F2N3 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine
PubChem CID24955566
Molecular FormulaC24H25F2N3
Molecular Weight393.48 g/mol
Exact Mass393.20
IUPAC NameN-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine
SMILESCC(C)(NCc1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1)c1ccccc1
InChIInChI=1S/C24H25F2N3/c1-24(2,17-6-4-3-5-7-17)27-14-20-22-15-8-9-16(12-15)23(22)29(28-20)21-11-10-18(25)13-19(21)26/h3-7,10-11,13,15-16,27H,8-9,12,14H2,1-2H3
InChIKeyCKBMFNDNZMZCOE-UHFFFAOYSA-N
XLogP5.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine?
The IUPAC name of N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine (CID 24955566) is N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine.
What is the SMILES notation for N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine?
The canonical SMILES for N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine is CC(C)(NCc1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1)c1ccccc1.
What is the InChIKey of N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine?
The InChIKey is CKBMFNDNZMZCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3/c1-24(2,17-6-4-3-5-7-17)27-14-20-22-15-8-9-16(12-15)23(22)29(28-20)21-11-10-18(25)13-19(21)26/h3-7,10-11,13,15-16,27H,8-9,12,14H2,1-2H3.
What are the key properties of N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine?
N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine has a molecular weight of 393.48 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-phenylpropan-2-amine is sourced from PubChem (CID 24955566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).