N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine

C20H27FN2 — CID 143335823

IUPACN,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine
SMILESCN(C)C.NCC[C@H]1Cc2cc(F)ccc2Cc2ccccc21
InChIInChI=1S/C17H18FN.C3H9N/c18-16-6-5-12-9-13-3-1-2-4-17(13)14(7-8-19)10-15(12)11-16;1-4(2)3/h1-6,11,14H,7-10,19H2;1-3H3/t14-;/m0./s1
InChIKeyJMSXXGBKCYVCCZ-UQKRIMTDSA-N
MW314.45 g/mol
LogP3.58
Rot. Bonds2

About N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine

N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine (PubChem CID 143335823) has the molecular formula C20H27FN2 and a molecular weight of 314.45 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine
PubChem CID143335823
Molecular FormulaC20H27FN2
Molecular Weight314.45 g/mol
Exact Mass314.22
IUPAC NameN,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine
SMILESCN(C)C.NCC[C@H]1Cc2cc(F)ccc2Cc2ccccc21
InChIInChI=1S/C17H18FN.C3H9N/c18-16-6-5-12-9-13-3-1-2-4-17(13)14(7-8-19)10-15(12)11-16;1-4(2)3/h1-6,11,14H,7-10,19H2;1-3H3/t14-;/m0./s1
InChIKeyJMSXXGBKCYVCCZ-UQKRIMTDSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine with MolForge

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Related Compounds

sodium;(10R)-6-fluoro-10-(2-fluoroethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;1-methylpyrrolidine-3-carboxylate
CID 143368926
[1-(dimethylamino)-3-(13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)propan-2-yl]-methoxy-methylsulfanium;methanethiol
CID 143335812
2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanol;methyl 4-methylbenzenesulfinate
CID 143151836
[10-(3-aminopropyl)-6-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl] acetate
CID 143335863
(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine
CID 165410508
1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-fluorobenzene-1,2-diamine
CID 66396180
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
1-[(2S,4R,6R)-17-fluoro-3-thiatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]-N,N-dimethylmethanamine
CID 11580699
1-[(2S,4S,6R)-17-fluoro-3-thiatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]-N,N-dimethylmethanamine
CID 11558937
2-(13-amino-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)acetate
CID 19591955
4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 84624080
N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine
CID 88828717

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine?
The IUPAC name of N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine (CID 143335823) is N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine.
What is the SMILES notation for N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine?
The canonical SMILES for N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine is CN(C)C.NCC[C@H]1Cc2cc(F)ccc2Cc2ccccc21.
What is the InChIKey of N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine?
The InChIKey is JMSXXGBKCYVCCZ-UQKRIMTDSA-N. The full InChI is InChI=1S/C17H18FN.C3H9N/c18-16-6-5-12-9-13-3-1-2-4-17(13)14(7-8-19)10-15(12)11-16;1-4(2)3/h1-6,11,14H,7-10,19H2;1-3H3/t14-;/m0./s1.
What are the key properties of N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine?
N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine has a molecular weight of 314.45 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine is sourced from PubChem (CID 143335823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).