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

C19H23F2N3 — CID 24955564

IUPACN-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1
InChIInChI=1S/C19H23F2N3/c1-19(2,3)22-10-15-17-11-4-5-12(8-11)18(17)24(23-15)16-7-6-13(20)9-14(16)21/h6-7,9,11-12,22H,4-5,8,10H2,1-3H3
InChIKeyORNFFQAZMPIODS-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.40
Rot. Bonds3

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

N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 24955564) has the molecular formula C19H23F2N3 and a molecular weight of 331.41 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-methylpropan-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-methylpropan-2-amine
PubChem CID24955564
Molecular FormulaC19H23F2N3
Molecular Weight331.41 g/mol
Exact Mass331.19
IUPAC NameN-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1
InChIInChI=1S/C19H23F2N3/c1-19(2,3)22-10-15-17-11-4-5-12(8-11)18(17)24(23-15)16-7-6-13(20)9-14(16)21/h6-7,9,11-12,22H,4-5,8,10H2,1-3H3
InChIKeyORNFFQAZMPIODS-UHFFFAOYSA-N
XLogP4.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.40
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-methylpropan-2-amine with MolForge

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Related Compounds

Tedalinab
CID 67029278
Cyto2A7
CID 2802803
(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-propan-2-ylphenyl)methyl]cyclopent-2-en-1-amine
CID 25390085
(1S,4S)-4-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]cyclopent-2-en-1-amine
CID 40780377
(1S,4S)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]cyclopent-2-en-1-amine
CID 40780440
N-tert-butyl-3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 67029463
(4R,7S)Tedalinab
CID 24872953
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
3-(2,4-Difluorophenyl)-5-(1-fluoro-3,3-dimethylbutyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 24955919
3-(2,4-Difluorophenyl)-5-(3,3-dimethylbutyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 24956642
3-(2,4-Difluorophenyl)-5-(3,3-dimethylbut-1-ynyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 24956643
3-(2,4-Difluorophenyl)-5-(2-phenylethynyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 24956995

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-methylpropan-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-methylpropan-2-amine (CID 24955564) is N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-methylpropan-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-methylpropan-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-methylpropan-2-amine is CC(C)(C)NCc1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1.
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-methylpropan-2-amine?
The InChIKey is ORNFFQAZMPIODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3/c1-19(2,3)22-10-15-17-11-4-5-12(8-11)18(17)24(23-15)16-7-6-13(20)9-14(16)21/h6-7,9,11-12,22H,4-5,8,10H2,1-3H3.
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-methylpropan-2-amine?
N-[[3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 331.41 g/mol, XLogP of 4.40, 3 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-methylpropan-2-amine is sourced from PubChem (CID 24955564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).