1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine

C22H26F2N2 — CID 143911631

IUPAC1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine
SMILESFC1C=CC(CNCc2ccccc2CNCC2=CCC(F)C=C2)=CC1
InChIInChI=1S/C22H26F2N2/c23-21-9-5-17(6-10-21)13-25-15-19-3-1-2-4-20(19)16-26-14-18-7-11-22(24)12-8-18/h1-9,11,21-22,25-26H,10,12-16H2
InChIKeyGUXNWQXQLXAGGJ-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.31
Rot. Bonds8

About 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine (PubChem CID 143911631) has the molecular formula C22H26F2N2 and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine
PubChem CID143911631
Molecular FormulaC22H26F2N2
Molecular Weight356.46 g/mol
Exact Mass356.21
IUPAC Name1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine
SMILESFC1C=CC(CNCc2ccccc2CNCC2=CCC(F)C=C2)=CC1
InChIInChI=1S/C22H26F2N2/c23-21-9-5-17(6-10-21)13-25-15-19-3-1-2-4-20(19)16-26-14-18-7-11-22(24)12-8-18/h1-9,11,21-22,25-26H,10,12-16H2
InChIKeyGUXNWQXQLXAGGJ-UHFFFAOYSA-N
XLogP4.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine with MolForge

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Related Compounds

N-[(4-pyrimidin-2-ylcyclohexa-1,5-dien-1-yl)methyl]-N'-[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine
CID 138564468
N'-[[2-[(2-aminoethylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 86255808
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478431
1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
1-[(5S,8aS)-5-[(4-aminophenyl)methyl]-7-(naphthalen-1-ylmethyl)-3,6-dioxo-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylurea
CID 89302226
[2-[[(4-fluorophenyl)methylamino]methyl]phenyl]methanol
CID 110906091
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine
CID 47038217
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
(4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 163691042

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine?
The IUPAC name of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine (CID 143911631) is 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine is FC1C=CC(CNCc2ccccc2CNCC2=CCC(F)C=C2)=CC1.
What is the InChIKey of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine?
The InChIKey is GUXNWQXQLXAGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2/c23-21-9-5-17(6-10-21)13-25-15-19-3-1-2-4-20(19)16-26-14-18-7-11-22(24)12-8-18/h1-9,11,21-22,25-26H,10,12-16H2.
What are the key properties of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine?
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine has a molecular weight of 356.46 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-[[2-[[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]methyl]phenyl]methyl]methanamine is sourced from PubChem (CID 143911631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).