1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine

C17H18ClN — CID 64984199

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)C1Cc2ccccc21
InChIInChI=1S/C17H18ClN/c1-19-17(10-12-5-4-7-14(18)9-12)16-11-13-6-2-3-8-15(13)16/h2-9,16-17,19H,10-11H2,1H3
InChIKeyFVEWSPNDXLBALX-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.81
Rot. Bonds4

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine (PubChem CID 64984199) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine
PubChem CID64984199
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)C1Cc2ccccc21
InChIInChI=1S/C17H18ClN/c1-19-17(10-12-5-4-7-14(18)9-12)16-11-13-6-2-3-8-15(13)16/h2-9,16-17,19H,10-11H2,1H3
InChIKeyFVEWSPNDXLBALX-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 64984397
3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63355001
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105224757
2-(3-chlorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105085979
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-ethoxy-N-methylethanamine
CID 79575110
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107308654
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine
CID 64984494
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethylethanamine
CID 105085901
[2-(3-chlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]hydrazine
CID 105234719
2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114216197
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methylphenyl)ethanamine
CID 64984380

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine (CID 64984199) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine?
The InChIKey is FVEWSPNDXLBALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-19-17(10-12-5-4-7-14(18)9-12)16-11-13-6-2-3-8-15(13)16/h2-9,16-17,19H,10-11H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine has a molecular weight of 271.79 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 64984199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).