3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine

C19H22ClN — CID 163931626

IUPAC3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine
SMILESCNCCCC1c2ccccc2CCc2c(Cl)cccc21
InChIInChI=1S/C19H22ClN/c1-21-13-5-9-16-15-7-3-2-6-14(15)11-12-18-17(16)8-4-10-19(18)20/h2-4,6-8,10,16,21H,5,9,11-13H2,1H3
InChIKeyZTTQRTOLXAKEBS-UHFFFAOYSA-N
MW299.84 g/mol
LogP4.57
Rot. Bonds4

About 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine

3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine (PubChem CID 163931626) has the molecular formula C19H22ClN and a molecular weight of 299.84 g/mol. Its IUPAC name is 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine
PubChem CID163931626
Molecular FormulaC19H22ClN
Molecular Weight299.84 g/mol
Exact Mass299.14
IUPAC Name3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine
SMILESCNCCCC1c2ccccc2CCc2c(Cl)cccc21
InChIInChI=1S/C19H22ClN/c1-21-13-5-9-16-15-7-3-2-6-14(15)11-12-18-17(16)8-4-10-19(18)20/h2-4,6-8,10,16,21H,5,9,11-13H2,1H3
InChIKeyZTTQRTOLXAKEBS-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine with MolForge

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Related Compounds

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
ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine
CID 143757912
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-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-N-methylpropan-1-amine
CID 21412088
2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide
CID 22619637
2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine
CID 84629340
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene
CID 14140318
1-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 65406109
1-(2-chlorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 65403390
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
CID 115104867

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine (CID 163931626) is 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine is CNCCCC1c2ccccc2CCc2c(Cl)cccc21.
What is the InChIKey of 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine?
The InChIKey is ZTTQRTOLXAKEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-21-13-5-9-16-15-7-3-2-6-14(15)11-12-18-17(16)8-4-10-19(18)20/h2-4,6-8,10,16,21H,5,9,11-13H2,1H3.
What are the key properties of 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine?
3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine has a molecular weight of 299.84 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 163931626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).