3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine

C19H21F2N — CID 83985427

IUPAC3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine
SMILESCNCCCC1c2ccc(F)cc2CCc2cc(F)ccc21
InChIInChI=1S/C19H21F2N/c1-22-10-2-3-19-17-8-6-15(20)11-13(17)4-5-14-12-16(21)7-9-18(14)19/h6-9,11-12,19,22H,2-5,10H2,1H3
InChIKeySYWYGWAYJSYNCW-UHFFFAOYSA-N
MW301.38 g/mol
LogP4.19
Rot. Bonds4

About 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine

3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine (PubChem CID 83985427) has the molecular formula C19H21F2N and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine
PubChem CID83985427
Molecular FormulaC19H21F2N
Molecular Weight301.38 g/mol
Exact Mass301.16
IUPAC Name3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine
SMILESCNCCCC1c2ccc(F)cc2CCc2cc(F)ccc21
InChIInChI=1S/C19H21F2N/c1-22-10-2-3-19-17-8-6-15(20)11-13(17)4-5-14-12-16(21)7-9-18(14)19/h6-9,11-12,19,22H,2-5,10H2,1H3
InChIKeySYWYGWAYJSYNCW-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine
CID 83985198
3-(6-fluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)propanoic acid
CID 83985242
3-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-1-amine
CID 117202070
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
3-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
CID 83985117
1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 105460928
6-fluoro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83907576
1-[(1R)-7-fluoro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-N-methylmethanamine
CID 165409737
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
3-[1-(2,4-difluorophenyl)-6-fluoro-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine
CID 143696256
1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)propan-1-one
CID 83985409
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933

Frequently Asked Questions

What is the IUPAC name of 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine (CID 83985427) is 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine is CNCCCC1c2ccc(F)cc2CCc2cc(F)ccc21.
What is the InChIKey of 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine?
The InChIKey is SYWYGWAYJSYNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N/c1-22-10-2-3-19-17-8-6-15(20)11-13(17)4-5-14-12-16(21)7-9-18(14)19/h6-9,11-12,19,22H,2-5,10H2,1H3.
What are the key properties of 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine?
3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine has a molecular weight of 301.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 83985427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).