1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride

C26H28FN — CID 174853975

IUPAC1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride
SMILESCNCc1ccc(C2CCc3c(ccc4c3CCc3ccccc3-4)C2)cc1.F
InChIInChI=1S/C26H27N.FH/c1-27-17-18-6-8-19(9-7-18)21-11-13-24-22(16-21)12-15-25-23-5-3-2-4-20(23)10-14-26(24)25;/h2-9,12,15,21,27H,10-11,13-14,16-17H2,1H3;1H
InChIKeyMDSNYASSQZZIOO-UHFFFAOYSA-N
MW373.52 g/mol
LogP5.60
Rot. Bonds3

About 1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride

1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride (PubChem CID 174853975) has the molecular formula C26H28FN and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride.

Molecular Properties

Compound Name1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride
PubChem CID174853975
Molecular FormulaC26H28FN
Molecular Weight373.52 g/mol
Exact Mass373.22
IUPAC Name1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride
SMILESCNCc1ccc(C2CCc3c(ccc4c3CCc3ccccc3-4)C2)cc1.F
InChIInChI=1S/C26H27N.FH/c1-27-17-18-6-8-19(9-7-18)21-11-13-24-22(16-21)12-15-25-23-5-3-2-4-20(23)10-14-26(24)25;/h2-9,12,15,21,27H,10-11,13-14,16-17H2,1H3;1H
InChIKeyMDSNYASSQZZIOO-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-azepine;2-(4-methylsulfinylphenyl)-1,2,3,4,5,6-hexahydrochrysene
CID 175237424
2-(1,2,3,4,5,6-hexahydrochrysen-2-yl)pyrimidine
CID 174535292
2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene
CID 174446313
2-phenyl-1,2,3,4-tetrahydrochrysene
CID 174844260
2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole
CID 174744492
1,1,2-trimethyl-5,6-dihydro-4H-chrysene-3-carbonitrile
CID 174721362
1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
CID 174809255
borane;N-methyl-1-phenylmethanamine
CID 134979061
9,10-dihydrophenanthrene;ethane
CID 143759681
1,2,3-trimethyl-1,4,5,6-tetrahydrochrysene
CID 174829865
6-(methylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 69193207
3,4,5,6-tetrahydrochrysen-3-ylmethanamine
CID 174311075

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride?
The IUPAC name of 1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride (CID 174853975) is 1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride.
What is the SMILES notation for 1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride?
The canonical SMILES for 1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride is CNCc1ccc(C2CCc3c(ccc4c3CCc3ccccc3-4)C2)cc1.F.
What is the InChIKey of 1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride?
The InChIKey is MDSNYASSQZZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N.FH/c1-27-17-18-6-8-19(9-7-18)21-11-13-24-22(16-21)12-15-25-23-5-3-2-4-20(23)10-14-26(24)25;/h2-9,12,15,21,27H,10-11,13-14,16-17H2,1H3;1H.
What are the key properties of 1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride?
1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride has a molecular weight of 373.52 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2,3,4,5,6-hexahydrochrysen-2-yl)phenyl]-N-methylmethanamine;hydrofluoride is sourced from PubChem (CID 174853975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).